REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2cbj_1_B DATA FIRST_RESID 40 DATA SEQUENCE QVLVPNLNPT PENLEVVGDG FKITSSINLV GEEEADENAV NALREFLTAN DATA SEQUENCE NIEINSENDP NSTTLIIGEV DDDIPELDEA LNGTTAENLK EEGYALVSND DATA SEQUENCE GKIAIEGKDG DGTFYGVQTF KQLVKESNIP EVNITDYPTV SARGIVEGFY DATA SEQUENCE GTPWTHQDRL DQIKFYGENK LNTYIYAPKD DPYHREKWRE PYPESEMQRM DATA SEQUENCE QELINASAEN KVDFVFGISP GIDIRFDGDA GEEDFNHLIT KAESLYDMGV DATA SEQUENCE RSFAIYWDDI QDKSAAKHAQ VLNRFNEEFV KAKGDVKPLI TVPTEYDTGA DATA SEQUENCE MVSNGQPRAY TRIFAETVDP SIEVMWTGPG VVTNEIPLSD AQLISGIYNR DATA SEQUENCE NMAVWWNYPV TDYFKGKLAL GPMHGLDKGL NQYVDFFTVN PMEHAELSKI DATA SEQUENCE SIHTAADYSW NMDNYDYDKA WNRAIDMLYG DLAEDMKVFA NHSTRMDNKT DATA SEQUENCE WAKSGREDAP ELRAKMDELW NKLSSKEDAS ALIEELYGEF ARMEEACNNL DATA SEQUENCE KANLPEVALE ECSRQLDELI TLAQGDKASL DMIVAQLNED TEAYESAKEI DATA SEQUENCE AQNKLNTALS SFAVISEKVA QSFIQEALSF DLTLI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 40 Q HA 0.000 nan 4.340 nan 0.000 0.214 40 Q C 0.000 175.966 176.000 -0.057 0.000 1.003 40 Q CA 0.000 55.764 55.803 -0.066 0.000 1.022 40 Q CB 0.000 28.712 28.738 -0.043 0.000 1.108 41 V N -1.246 118.650 119.914 -0.030 0.000 2.277 41 V HA -0.208 5.789 4.120 3.128 0.000 0.255 41 V C 1.226 177.310 176.094 -0.017 0.000 1.074 41 V CA 1.777 64.070 62.300 -0.012 0.000 1.058 41 V CB -0.963 30.860 31.823 0.000 0.000 0.656 41 V HN 0.457 nan 8.190 nan 0.000 0.449 42 L N 0.769 121.978 121.223 -0.022 0.000 2.312 42 L HA 0.375 6.592 4.340 3.128 0.000 0.281 42 L C -0.152 176.700 176.870 -0.029 0.000 1.070 42 L CA -0.577 54.251 54.840 -0.020 0.000 0.805 42 L CB 1.584 43.632 42.059 -0.017 0.000 1.174 42 L HN 0.035 nan 8.230 nan 0.000 0.434 43 V N 4.558 124.458 119.914 -0.023 0.000 2.450 43 V HA 0.068 6.065 4.120 3.128 0.000 0.281 43 V C -1.602 174.474 176.094 -0.029 0.000 1.019 43 V CA -1.043 61.241 62.300 -0.028 0.000 1.062 43 V CB 0.178 31.991 31.823 -0.016 0.000 0.979 43 V HN 0.672 nan 8.190 nan 0.000 0.477 44 P HA 0.105 nan 4.420 nan 0.000 0.272 44 P C -0.047 177.240 177.300 -0.023 0.000 1.254 44 P CA -0.570 62.509 63.100 -0.034 0.000 0.795 44 P CB 0.315 31.986 31.700 -0.049 0.000 1.022 45 N N 0.370 119.063 118.700 -0.012 0.000 2.412 45 N HA 0.036 6.654 4.740 3.128 0.000 0.258 45 N C -0.474 175.036 175.510 0.001 0.000 1.236 45 N CA 0.623 53.676 53.050 0.005 0.000 0.882 45 N CB -0.237 38.261 38.487 0.019 0.000 1.066 45 N HN 0.263 nan 8.380 nan 0.000 0.465 46 L N 2.037 123.261 121.223 0.002 0.000 2.362 46 L HA 0.497 6.714 4.340 3.128 0.000 0.271 46 L C 0.285 177.139 176.870 -0.026 0.000 1.002 46 L CA -0.691 54.133 54.840 -0.027 0.000 0.818 46 L CB 1.897 43.931 42.059 -0.042 0.000 1.298 46 L HN 0.448 nan 8.230 nan 0.000 0.420 47 N N 2.242 120.887 118.700 -0.093 0.000 2.478 47 N HA 0.415 7.032 4.740 3.128 0.000 0.291 47 N C -2.919 172.386 175.510 -0.341 0.000 1.090 47 N CA -1.192 51.743 53.050 -0.191 0.000 0.911 47 N CB 3.276 41.606 38.487 -0.261 0.000 1.546 47 N HN 0.215 nan 8.380 nan 0.000 0.500 48 P HA 0.109 nan 4.420 nan 0.000 0.274 48 P C -0.503 176.681 177.300 -0.194 0.000 1.260 48 P CA -0.010 62.904 63.100 -0.309 0.000 0.793 48 P CB 0.363 31.792 31.700 -0.451 0.000 1.048 49 T N 2.573 117.101 114.554 -0.042 0.000 2.817 49 T HA 0.180 6.407 4.350 3.128 0.000 0.295 49 T C -2.148 172.571 174.700 0.032 0.000 0.958 49 T CA -0.652 61.451 62.100 0.004 0.000 1.157 49 T CB -0.671 68.225 68.868 0.047 0.000 0.898 49 T HN 0.286 nan 8.240 nan 0.000 0.536 50 P HA 0.059 nan 4.420 nan 0.000 0.265 50 P C 0.820 178.132 177.300 0.020 0.000 1.187 50 P CA -0.033 63.100 63.100 0.056 0.000 0.766 50 P CB 0.646 32.365 31.700 0.032 0.000 0.820 51 E N 3.071 123.245 120.200 -0.043 0.000 2.051 51 E HA -0.142 6.085 4.350 3.128 0.000 0.192 51 E C 0.016 176.560 176.600 -0.093 0.000 0.991 51 E CA 1.663 57.955 56.400 -0.180 0.000 0.799 51 E CB -0.074 29.299 29.700 -0.545 0.000 0.748 51 E HN 0.403 nan 8.360 nan 0.000 0.449 52 N N 0.188 118.851 118.700 -0.061 0.000 2.399 52 N HA 0.295 6.912 4.740 3.128 0.000 0.284 52 N C -1.365 174.142 175.510 -0.006 0.000 1.025 52 N CA -0.414 52.625 53.050 -0.019 0.000 0.885 52 N CB 1.999 40.487 38.487 0.002 0.000 1.339 52 N HN 0.076 nan 8.380 nan 0.000 0.487 53 L N 0.984 122.209 121.223 0.004 0.000 2.409 53 L HA 0.453 6.670 4.340 3.128 0.000 0.272 53 L C -0.711 176.168 176.870 0.016 0.000 0.980 53 L CA -0.453 54.395 54.840 0.014 0.000 0.826 53 L CB 2.055 44.122 42.059 0.014 0.000 1.268 53 L HN 0.457 nan 8.230 nan 0.000 0.407 54 E N 3.548 123.762 120.200 0.023 0.000 2.199 54 E HA 0.404 6.631 4.350 3.128 0.000 0.265 54 E C -1.437 175.181 176.600 0.030 0.000 0.882 54 E CA -0.781 55.633 56.400 0.024 0.000 0.759 54 E CB 2.231 31.945 29.700 0.025 0.000 1.148 54 E HN 0.432 nan 8.360 nan 0.000 0.412 55 V N 5.123 125.052 119.914 0.026 0.000 2.488 55 V HA 0.056 6.053 4.120 3.128 0.000 0.277 55 V C 0.897 177.013 176.094 0.035 0.000 1.046 55 V CA 0.043 62.361 62.300 0.031 0.000 0.986 55 V CB 1.137 32.974 31.823 0.023 0.000 0.989 55 V HN 0.670 nan 8.190 nan 0.000 0.475 56 V N 2.014 121.956 119.914 0.047 0.000 3.253 56 V HA 0.827 6.824 4.120 3.128 0.000 0.320 56 V C 0.473 176.599 176.094 0.054 0.000 1.442 56 V CA 0.631 62.959 62.300 0.047 0.000 1.097 56 V CB 0.033 31.886 31.823 0.050 0.000 1.008 56 V HN 0.936 nan 8.190 nan 0.000 0.463 57 G N -0.577 108.260 108.800 0.061 0.000 2.490 57 G HA2 0.357 6.195 3.960 3.128 0.000 0.308 57 G HA3 0.357 6.195 3.960 3.128 0.000 0.308 57 G C -1.119 173.822 174.900 0.068 0.000 1.286 57 G CA 0.216 45.357 45.100 0.069 0.000 0.825 57 G HN -0.094 nan 8.290 nan 0.000 0.479 58 D N 0.139 120.586 120.400 0.078 0.000 2.339 58 D HA 0.369 6.886 4.640 3.128 0.000 0.217 58 D C 1.462 177.811 176.300 0.082 0.000 1.050 58 D CA 1.454 55.493 54.000 0.066 0.000 0.856 58 D CB 0.441 41.276 40.800 0.057 0.000 0.922 58 D HN 1.242 nan 8.370 nan 0.000 0.518 59 G N 1.073 109.952 108.800 0.132 0.000 2.828 59 G HA2 -0.091 5.746 3.960 3.128 0.000 0.463 59 G HA3 -0.091 5.746 3.960 3.128 0.000 0.463 59 G C -0.405 174.634 174.900 0.233 0.000 1.394 59 G CA -0.299 44.873 45.100 0.119 0.000 0.862 59 G HN 0.292 nan 8.290 nan 0.000 0.540 60 F N -2.788 117.177 119.950 0.025 0.000 2.741 60 F HA 0.830 7.234 4.527 3.129 0.000 0.313 60 F C -0.635 175.181 175.800 0.028 0.000 1.153 60 F CA -1.306 56.709 58.000 0.026 0.000 0.931 60 F CB 1.641 40.659 39.000 0.030 0.000 1.335 60 F HN 0.592 nan 8.300 nan 0.000 0.460 61 K N 2.551 123.089 120.400 0.229 0.000 2.227 61 K HA 0.475 6.672 4.320 3.128 0.000 0.280 61 K C -0.914 175.820 176.600 0.222 0.000 1.041 61 K CA -0.348 56.013 56.287 0.122 0.000 0.905 61 K CB 0.927 33.484 32.500 0.095 0.000 1.068 61 K HN 0.799 nan 8.250 nan 0.000 0.470 62 I N 4.346 124.991 120.570 0.124 0.000 2.471 62 I HA -0.048 5.999 4.170 3.128 0.000 0.286 62 I C 1.215 177.407 176.117 0.126 0.000 1.079 62 I CA -0.078 61.329 61.300 0.179 0.000 1.398 62 I CB 1.034 39.123 38.000 0.149 0.000 1.403 62 I HN 0.680 nan 8.210 nan 0.000 0.530 63 T N 1.687 116.318 114.554 0.128 0.000 2.734 63 T HA 0.028 6.255 4.350 3.128 0.000 0.314 63 T C 1.235 175.972 174.700 0.062 0.000 1.057 63 T CA -0.572 61.577 62.100 0.082 0.000 1.047 63 T CB 0.823 69.733 68.868 0.071 0.000 0.991 63 T HN 0.581 nan 8.240 nan 0.000 0.540 64 S N 0.492 116.216 115.700 0.040 0.000 2.382 64 S HA 0.036 6.383 4.470 3.128 0.000 0.228 64 S C 0.989 175.605 174.600 0.026 0.000 1.027 64 S CA 0.634 58.848 58.200 0.024 0.000 0.991 64 S CB -0.135 63.073 63.200 0.014 0.000 0.823 64 S HN 0.737 nan 8.310 nan 0.000 0.469 65 S N 0.669 116.388 115.700 0.032 0.000 2.482 65 S HA 0.671 7.018 4.470 3.128 0.000 0.303 65 S C -0.351 174.276 174.600 0.045 0.000 1.091 65 S CA -0.842 57.377 58.200 0.032 0.000 1.057 65 S CB 1.207 64.421 63.200 0.022 0.000 1.031 65 S HN 0.349 nan 8.310 nan 0.000 0.485 66 I N 0.741 121.341 120.570 0.051 0.000 2.863 66 I HA 0.646 6.693 4.170 3.128 0.000 0.311 66 I C -0.359 175.781 176.117 0.038 0.000 1.026 66 I CA -0.874 60.460 61.300 0.058 0.000 1.077 66 I CB 0.925 38.976 38.000 0.084 0.000 1.262 66 I HN 0.268 nan 8.210 nan 0.000 0.461 67 N N 2.771 121.492 118.700 0.034 0.000 2.444 67 N HA 0.426 7.043 4.740 3.128 0.000 0.271 67 N C -1.235 174.283 175.510 0.012 0.000 1.069 67 N CA -0.262 52.800 53.050 0.019 0.000 0.965 67 N CB 1.746 40.241 38.487 0.014 0.000 1.092 67 N HN 0.563 nan 8.380 nan 0.000 0.476 68 L N 3.369 124.596 121.223 0.005 0.000 2.305 68 L HA 0.480 6.697 4.340 3.128 0.000 0.284 68 L C -1.103 175.762 176.870 -0.009 0.000 1.013 68 L CA -0.654 54.182 54.840 -0.006 0.000 0.819 68 L CB 1.411 43.468 42.059 -0.003 0.000 1.227 68 L HN 0.195 nan 8.230 nan 0.000 0.417 69 V N 4.216 124.120 119.914 -0.016 0.000 2.540 69 V HA 0.785 6.782 4.120 3.128 0.000 0.302 69 V C 0.783 176.866 176.094 -0.017 0.000 1.035 69 V CA 0.073 62.366 62.300 -0.013 0.000 0.873 69 V CB 1.041 32.858 31.823 -0.009 0.000 0.992 69 V HN 0.927 nan 8.190 nan 0.000 0.428 70 G N 2.801 111.594 108.800 -0.012 0.000 2.179 70 G HA2 -0.209 5.628 3.960 3.128 0.000 0.220 70 G HA3 -0.209 5.628 3.960 3.128 0.000 0.220 70 G C 0.850 175.744 174.900 -0.010 0.000 0.990 70 G CA 0.344 45.438 45.100 -0.010 0.000 0.646 70 G HN 0.884 nan 8.290 nan 0.000 0.517 71 E N 0.771 120.964 120.200 -0.011 0.000 2.204 71 E HA -0.112 6.115 4.350 3.128 0.000 0.195 71 E C 1.635 178.233 176.600 -0.004 0.000 0.990 71 E CA 1.701 58.095 56.400 -0.009 0.000 0.821 71 E CB -0.087 29.608 29.700 -0.008 0.000 0.750 71 E HN 0.476 nan 8.360 nan 0.000 0.477 72 E N 0.545 120.744 120.200 -0.003 0.000 2.318 72 E HA -0.069 6.158 4.350 3.128 0.000 0.193 72 E C 1.718 178.318 176.600 -0.000 0.000 0.998 72 E CA 1.029 57.429 56.400 -0.001 0.000 0.859 72 E CB 0.268 29.967 29.700 -0.001 0.000 0.812 72 E HN 0.469 nan 8.360 nan 0.000 0.492 73 E N -0.281 119.919 120.200 -0.001 0.000 2.389 73 E HA 0.190 6.417 4.350 3.128 0.000 0.199 73 E C 0.620 177.221 176.600 0.002 0.000 0.978 73 E CA 0.176 56.577 56.400 0.001 0.000 0.912 73 E CB -0.028 29.674 29.700 0.002 0.000 0.907 73 E HN 0.074 nan 8.360 nan 0.000 0.494 74 A N 2.529 125.349 122.820 -0.001 0.000 2.366 74 A HA 0.021 6.218 4.320 3.128 0.000 0.249 74 A C 0.290 177.875 177.584 0.003 0.000 1.084 74 A CA -0.275 51.761 52.037 -0.000 0.000 0.794 74 A CB 0.136 19.131 19.000 -0.009 0.000 1.034 74 A HN 0.181 nan 8.150 nan 0.000 0.491 75 D N 0.960 121.364 120.400 0.006 0.000 2.586 75 D HA -0.073 6.445 4.640 3.128 0.000 0.234 75 D C 0.877 177.185 176.300 0.014 0.000 1.132 75 D CA 0.588 54.593 54.000 0.008 0.000 0.860 75 D CB 0.495 41.301 40.800 0.010 0.000 1.159 75 D HN 0.626 nan 8.370 nan 0.000 0.490 76 E N 3.063 123.268 120.200 0.007 0.000 2.049 76 E HA -0.255 5.972 4.350 3.128 0.000 0.198 76 E C 1.703 178.322 176.600 0.031 0.000 1.007 76 E CA 1.771 58.178 56.400 0.012 0.000 0.809 76 E CB 0.008 29.709 29.700 0.001 0.000 0.749 76 E HN 0.623 nan 8.360 nan 0.000 0.450 77 N N 0.266 118.985 118.700 0.032 0.000 2.043 77 N HA -0.204 6.413 4.740 3.128 0.000 0.193 77 N C 1.889 177.537 175.510 0.229 0.000 1.037 77 N CA 1.056 54.154 53.050 0.079 0.000 0.851 77 N CB -0.204 38.256 38.487 -0.046 0.000 1.027 77 N HN 0.128 nan 8.380 nan 0.000 0.422 78 A N 0.924 123.881 122.820 0.230 0.000 1.873 78 A HA -0.160 6.038 4.320 3.128 0.000 0.218 78 A C 2.442 180.051 177.584 0.042 0.000 1.193 78 A CA 1.503 53.630 52.037 0.150 0.000 0.629 78 A CB -1.058 17.974 19.000 0.055 0.000 0.826 78 A HN 0.129 nan 8.150 nan 0.000 0.447 79 V N 0.987 120.921 119.914 0.033 0.000 2.287 79 V HA -0.305 5.692 4.120 3.128 0.000 0.248 79 V C 2.345 178.458 176.094 0.031 0.000 1.053 79 V CA 2.284 64.592 62.300 0.013 0.000 1.027 79 V CB -1.042 30.786 31.823 0.009 0.000 0.646 79 V HN 0.580 nan 8.190 nan 0.000 0.447 80 N N 0.597 119.328 118.700 0.051 0.000 2.104 80 N HA -0.131 6.486 4.740 3.128 0.000 0.190 80 N C 1.829 177.381 175.510 0.070 0.000 1.024 80 N CA 1.718 54.802 53.050 0.058 0.000 0.853 80 N CB -0.570 37.954 38.487 0.060 0.000 1.008 80 N HN 0.512 nan 8.380 nan 0.000 0.424 81 A N 0.534 123.400 122.820 0.078 0.000 2.015 81 A HA -0.036 6.161 4.320 3.128 0.000 0.219 81 A C 2.195 179.806 177.584 0.045 0.000 1.163 81 A CA 0.716 52.779 52.037 0.043 0.000 0.646 81 A CB -0.464 18.497 19.000 -0.065 0.000 0.806 81 A HN 0.218 nan 8.150 nan 0.000 0.448 82 L N -0.109 121.133 121.223 0.032 0.000 2.023 82 L HA -0.067 6.150 4.340 3.128 0.000 0.205 82 L C 2.461 179.422 176.870 0.152 0.000 1.073 82 L CA 1.787 56.673 54.840 0.077 0.000 0.745 82 L CB -0.590 41.461 42.059 -0.012 0.000 0.900 82 L HN 0.334 nan 8.230 nan 0.000 0.435 83 R N -0.291 120.263 120.500 0.091 0.000 2.080 83 R HA -0.202 6.015 4.340 3.128 0.000 0.236 83 R C 2.138 178.490 176.300 0.088 0.000 1.137 83 R CA 1.855 58.002 56.100 0.078 0.000 0.943 83 R CB -0.638 29.691 30.300 0.047 0.000 0.846 83 R HN 0.495 nan 8.270 nan 0.000 0.431 84 E N -0.081 120.173 120.200 0.090 0.000 2.086 84 E HA -0.269 5.958 4.350 3.128 0.000 0.205 84 E C 1.746 178.412 176.600 0.109 0.000 1.027 84 E CA 1.935 58.386 56.400 0.085 0.000 0.830 84 E CB -0.249 29.506 29.700 0.092 0.000 0.751 84 E HN 0.279 nan 8.360 nan 0.000 0.456 85 F N 0.664 120.623 119.950 0.015 0.000 2.128 85 F HA -0.145 6.258 4.527 3.127 0.000 0.295 85 F C 1.941 177.760 175.800 0.031 0.000 1.100 85 F CA 0.682 58.693 58.000 0.019 0.000 1.260 85 F CB -0.112 38.911 39.000 0.039 0.000 1.009 85 F HN -0.061 nan 8.300 nan 0.000 0.476 86 L N 0.838 122.145 121.223 0.139 0.000 1.990 86 L HA -0.241 5.976 4.340 3.128 0.000 0.213 86 L C 2.536 179.350 176.870 -0.094 0.000 1.072 86 L CA 2.448 57.302 54.840 0.023 0.000 0.755 86 L CB -1.728 40.410 42.059 0.133 0.000 0.889 86 L HN 0.224 nan 8.230 nan 0.000 0.432 87 T N -0.389 114.137 114.554 -0.047 0.000 2.652 87 T HA -0.235 5.992 4.350 3.128 0.000 0.267 87 T C 1.789 176.426 174.700 -0.105 0.000 1.039 87 T CA 1.494 63.560 62.100 -0.055 0.000 1.153 87 T CB -0.596 68.257 68.868 -0.024 0.000 0.863 87 T HN 0.419 nan 8.240 nan 0.000 0.428 88 A N 1.574 124.312 122.820 -0.137 0.000 2.225 88 A HA -0.042 6.156 4.320 3.128 0.000 0.215 88 A C 1.770 179.217 177.584 -0.229 0.000 1.164 88 A CA 0.898 52.840 52.037 -0.158 0.000 0.710 88 A CB -0.415 18.503 19.000 -0.137 0.000 0.780 88 A HN 0.553 nan 8.150 nan 0.000 0.473 89 N N 0.138 118.660 118.700 -0.297 0.000 2.197 89 N HA 0.027 6.644 4.740 3.128 0.000 0.228 89 N C -0.850 174.552 175.510 -0.180 0.000 1.212 89 N CA -0.091 52.777 53.050 -0.303 0.000 0.883 89 N CB 0.309 38.478 38.487 -0.529 0.000 1.107 89 N HN 0.384 nan 8.380 nan 0.000 0.519 90 N N 1.015 119.638 118.700 -0.129 0.000 2.780 90 N HA -0.159 6.458 4.740 3.128 0.000 0.247 90 N C -0.903 174.574 175.510 -0.056 0.000 1.076 90 N CA 0.761 53.764 53.050 -0.077 0.000 0.688 90 N CB -1.463 36.985 38.487 -0.065 0.000 0.957 90 N HN 0.389 nan 8.380 nan 0.000 0.551 91 I N 0.423 120.962 120.570 -0.052 0.000 2.439 91 I HA 0.198 6.245 4.170 3.128 0.000 0.283 91 I C 0.349 176.469 176.117 0.004 0.000 1.023 91 I CA -0.502 60.790 61.300 -0.013 0.000 1.100 91 I CB 1.796 39.801 38.000 0.007 0.000 1.238 91 I HN -0.112 nan 8.210 nan 0.000 0.445 92 E N 5.745 125.951 120.200 0.010 0.000 2.283 92 E HA 0.506 6.733 4.350 3.128 0.000 0.271 92 E C -0.601 176.013 176.600 0.023 0.000 1.031 92 E CA -0.724 55.683 56.400 0.012 0.000 0.868 92 E CB 2.579 32.283 29.700 0.006 0.000 1.094 92 E HN 0.421 nan 8.360 nan 0.000 0.401 93 I N 2.790 123.372 120.570 0.020 0.000 2.331 93 I HA 0.064 6.111 4.170 3.128 0.000 0.292 93 I C 0.502 176.628 176.117 0.015 0.000 0.998 93 I CA -0.532 60.780 61.300 0.021 0.000 1.267 93 I CB 0.641 38.652 38.000 0.019 0.000 1.386 93 I HN 0.132 nan 8.210 nan 0.000 0.476 94 N N 4.017 122.727 118.700 0.016 0.000 2.412 94 N HA -0.000 6.617 4.740 3.128 0.000 0.254 94 N C 0.966 176.481 175.510 0.008 0.000 1.232 94 N CA 0.153 53.210 53.050 0.012 0.000 0.880 94 N CB 1.061 39.555 38.487 0.013 0.000 1.076 94 N HN 0.584 nan 8.380 nan 0.000 0.458 95 S N 1.783 117.487 115.700 0.006 0.000 2.348 95 S HA -0.155 6.193 4.470 3.128 0.000 0.221 95 S C 0.601 175.203 174.600 0.004 0.000 1.033 95 S CA 1.187 59.390 58.200 0.005 0.000 1.010 95 S CB -0.116 63.086 63.200 0.004 0.000 0.891 95 S HN 0.812 nan 8.310 nan 0.000 0.442 96 E N 0.709 120.911 120.200 0.004 0.000 2.392 96 E HA 0.489 6.716 4.350 3.128 0.000 0.269 96 E C -1.041 175.562 176.600 0.004 0.000 0.924 96 E CA -1.113 55.289 56.400 0.003 0.000 0.784 96 E CB 0.511 30.213 29.700 0.002 0.000 1.292 96 E HN 0.039 nan 8.360 nan 0.000 0.447 97 N N 0.774 119.476 118.700 0.003 0.000 2.412 97 N HA -0.013 6.604 4.740 3.128 0.000 0.258 97 N C -1.309 174.203 175.510 0.003 0.000 1.236 97 N CA 0.495 53.547 53.050 0.003 0.000 0.882 97 N CB 0.538 39.026 38.487 0.001 0.000 1.066 97 N HN 0.521 nan 8.380 nan 0.000 0.465 98 D N 3.529 123.932 120.400 0.005 0.000 2.549 98 D HA 0.343 6.860 4.640 3.128 0.000 0.251 98 D C -2.156 174.146 176.300 0.003 0.000 1.153 98 D CA -2.268 51.735 54.000 0.005 0.000 0.861 98 D CB 1.766 42.570 40.800 0.008 0.000 1.207 98 D HN 0.290 nan 8.370 nan 0.000 0.543 99 P HA -0.062 nan 4.420 nan 0.000 0.219 99 P C 0.779 178.076 177.300 -0.005 0.000 1.146 99 P CA 0.731 63.828 63.100 -0.005 0.000 0.808 99 P CB 0.361 32.057 31.700 -0.006 0.000 0.779 100 N N -1.263 117.437 118.700 -0.000 0.000 2.494 100 N HA 0.018 6.635 4.740 3.128 0.000 0.182 100 N C 0.388 175.904 175.510 0.011 0.000 1.076 100 N CA 0.569 53.620 53.050 0.002 0.000 0.908 100 N CB -0.220 38.270 38.487 0.005 0.000 0.967 100 N HN 0.121 nan 8.380 nan 0.000 0.449 101 S N 0.080 115.788 115.700 0.014 0.000 2.617 101 S HA 0.210 6.557 4.470 3.128 0.000 0.269 101 S C 0.445 175.064 174.600 0.033 0.000 1.292 101 S CA -0.358 57.858 58.200 0.028 0.000 1.010 101 S CB 1.328 64.545 63.200 0.027 0.000 0.944 101 S HN 0.062 nan 8.310 nan 0.000 0.536 102 T N 3.026 117.619 114.554 0.065 0.000 2.919 102 T HA 0.283 6.510 4.350 3.128 0.000 0.302 102 T C 0.077 174.821 174.700 0.074 0.000 1.031 102 T CA 0.000 62.157 62.100 0.094 0.000 1.127 102 T CB 0.409 69.393 68.868 0.194 0.000 0.952 102 T HN 0.518 nan 8.240 nan 0.000 0.540 103 T N 3.889 118.478 114.554 0.058 0.000 2.797 103 T HA 0.535 6.762 4.350 3.128 0.000 0.279 103 T C -0.506 174.218 174.700 0.040 0.000 0.991 103 T CA -0.587 61.534 62.100 0.035 0.000 0.979 103 T CB 0.825 69.699 68.868 0.010 0.000 0.943 103 T HN 0.384 nan 8.240 nan 0.000 0.444 104 L N 4.377 125.605 121.223 0.009 0.000 2.325 104 L HA 0.621 6.838 4.340 3.128 0.000 0.281 104 L C -1.417 175.421 176.870 -0.053 0.000 1.004 104 L CA -0.994 53.820 54.840 -0.044 0.000 0.823 104 L CB 0.743 42.731 42.059 -0.118 0.000 1.236 104 L HN 0.563 nan 8.230 nan 0.000 0.415 105 I N 6.037 126.578 120.570 -0.050 0.000 2.354 105 I HA 0.467 6.514 4.170 3.128 0.000 0.292 105 I C -0.324 175.758 176.117 -0.057 0.000 0.989 105 I CA -0.057 61.220 61.300 -0.039 0.000 1.188 105 I CB 1.627 39.617 38.000 -0.015 0.000 1.342 105 I HN 0.446 nan 8.210 nan 0.000 0.457 106 I N 4.488 125.027 120.570 -0.052 0.000 2.647 106 I HA 0.925 6.972 4.170 3.128 0.000 0.295 106 I C -0.104 175.998 176.117 -0.024 0.000 1.078 106 I CA 0.103 61.370 61.300 -0.055 0.000 1.048 106 I CB 1.860 39.809 38.000 -0.085 0.000 1.239 106 I HN 0.733 nan 8.210 nan 0.000 0.421 107 G N 4.844 113.638 108.800 -0.010 0.000 2.315 107 G HA2 0.322 6.159 3.960 3.128 0.000 0.294 107 G HA3 0.322 6.159 3.960 3.128 0.000 0.294 107 G C -2.026 172.887 174.900 0.022 0.000 1.300 107 G CA -0.726 44.377 45.100 0.005 0.000 0.843 107 G HN 0.507 nan 8.290 nan 0.000 0.527 108 E N -0.991 119.225 120.200 0.025 0.000 2.232 108 E HA 0.580 6.808 4.350 3.128 0.000 0.264 108 E C 1.365 177.986 176.600 0.035 0.000 0.973 108 E CA -0.648 55.774 56.400 0.038 0.000 0.849 108 E CB 2.087 31.807 29.700 0.033 0.000 1.198 108 E HN 0.272 nan 8.360 nan 0.000 0.407 109 V N 0.661 120.601 119.914 0.042 0.000 2.324 109 V HA -0.234 5.764 4.120 3.128 0.000 0.250 109 V C 0.720 176.829 176.094 0.025 0.000 1.060 109 V CA 1.893 64.214 62.300 0.035 0.000 1.042 109 V CB -0.257 31.588 31.823 0.037 0.000 0.650 109 V HN 0.664 nan 8.190 nan 0.000 0.450 110 D N -0.395 120.019 120.400 0.022 0.000 2.491 110 D HA 0.134 6.651 4.640 3.128 0.000 0.228 110 D C 0.061 176.369 176.300 0.014 0.000 1.183 110 D CA 0.016 54.026 54.000 0.017 0.000 0.827 110 D CB 0.122 40.931 40.800 0.015 0.000 0.989 110 D HN 0.437 nan 8.370 nan 0.000 0.494 111 D N 0.481 120.890 120.400 0.015 0.000 2.348 111 D HA 0.018 6.535 4.640 3.128 0.000 0.249 111 D C 0.089 176.395 176.300 0.010 0.000 1.110 111 D CA -0.157 53.850 54.000 0.012 0.000 0.967 111 D CB 1.262 42.069 40.800 0.012 0.000 1.139 111 D HN -0.139 nan 8.370 nan 0.000 0.466 112 D N 1.157 121.561 120.400 0.007 0.000 2.558 112 D HA 0.188 6.705 4.640 3.128 0.000 0.221 112 D C -0.616 175.687 176.300 0.005 0.000 1.143 112 D CA -0.153 53.850 54.000 0.006 0.000 1.010 112 D CB -0.806 39.997 40.800 0.005 0.000 1.068 112 D HN 0.215 nan 8.370 nan 0.000 0.511 113 I N 3.480 124.054 120.570 0.006 0.000 2.714 113 I HA 0.208 6.255 4.170 3.128 0.000 0.276 113 I C -1.718 174.403 176.117 0.006 0.000 1.196 113 I CA -1.816 59.487 61.300 0.005 0.000 1.068 113 I CB 1.942 39.945 38.000 0.004 0.000 1.291 113 I HN -0.022 nan 8.210 nan 0.000 0.530 114 P HA -0.180 nan 4.420 nan 0.000 0.216 114 P C 1.187 178.490 177.300 0.005 0.000 1.150 114 P CA 1.444 64.547 63.100 0.005 0.000 0.843 114 P CB 0.355 32.057 31.700 0.003 0.000 0.787 115 E N -1.096 119.106 120.200 0.003 0.000 2.160 115 E HA -0.166 6.061 4.350 3.128 0.000 0.195 115 E C 1.809 178.412 176.600 0.005 0.000 0.991 115 E CA 0.652 57.053 56.400 0.002 0.000 0.810 115 E CB -0.874 28.826 29.700 -0.000 0.000 0.742 115 E HN 0.088 nan 8.360 nan 0.000 0.466 116 L N 1.325 122.552 121.223 0.007 0.000 1.994 116 L HA -0.192 6.025 4.340 3.128 0.000 0.208 116 L C 1.235 178.115 176.870 0.016 0.000 1.071 116 L CA 1.978 56.825 54.840 0.012 0.000 0.745 116 L CB -0.789 41.278 42.059 0.013 0.000 0.892 116 L HN 0.049 nan 8.230 nan 0.000 0.431 117 D N -0.600 119.809 120.400 0.015 0.000 2.133 117 D HA -0.248 6.270 4.640 3.128 0.000 0.195 117 D C 2.122 178.430 176.300 0.013 0.000 0.997 117 D CA 1.495 55.504 54.000 0.015 0.000 0.840 117 D CB 0.009 40.816 40.800 0.012 0.000 0.947 117 D HN 0.455 nan 8.370 nan 0.000 0.452 118 E N 0.447 120.653 120.200 0.010 0.000 2.046 118 E HA -0.012 6.215 4.350 3.128 0.000 0.190 118 E C 1.907 178.512 176.600 0.009 0.000 0.982 118 E CA 1.297 57.701 56.400 0.007 0.000 0.800 118 E CB -0.254 29.448 29.700 0.003 0.000 0.756 118 E HN 0.162 nan 8.360 nan 0.000 0.449 119 A N 0.188 123.015 122.820 0.011 0.000 1.968 119 A HA -0.037 6.160 4.320 3.128 0.000 0.217 119 A C 2.162 179.762 177.584 0.026 0.000 1.169 119 A CA 0.911 52.957 52.037 0.015 0.000 0.638 119 A CB -0.530 18.479 19.000 0.016 0.000 0.812 119 A HN 0.333 nan 8.150 nan 0.000 0.446 120 L N -0.786 120.454 121.223 0.028 0.000 2.291 120 L HA -0.078 6.139 4.340 3.128 0.000 0.214 120 L C 0.770 177.659 176.870 0.031 0.000 1.120 120 L CA 0.338 55.200 54.840 0.036 0.000 0.799 120 L CB -0.455 41.626 42.059 0.037 0.000 0.925 120 L HN 0.501 nan 8.230 nan 0.000 0.446 121 N N 0.722 119.436 118.700 0.023 0.000 2.669 121 N HA -0.234 6.383 4.740 3.128 0.000 0.266 121 N C 0.824 176.346 175.510 0.020 0.000 1.024 121 N CA 0.965 54.026 53.050 0.019 0.000 0.766 121 N CB -0.722 37.776 38.487 0.018 0.000 0.898 121 N HN 0.666 nan 8.380 nan 0.000 0.548 122 G N -0.854 107.957 108.800 0.018 0.000 2.956 122 G HA2 -0.290 5.547 3.960 3.128 0.000 0.210 122 G HA3 -0.290 5.547 3.960 3.128 0.000 0.210 122 G C 0.034 174.946 174.900 0.019 0.000 1.316 122 G CA 0.373 45.483 45.100 0.017 0.000 0.819 122 G HN 0.774 nan 8.290 nan 0.000 0.544 123 T N 2.299 116.868 114.554 0.025 0.000 2.814 123 T HA 0.543 6.770 4.350 3.128 0.000 0.297 123 T C 0.557 175.275 174.700 0.031 0.000 0.956 123 T CA 0.902 63.018 62.100 0.027 0.000 1.123 123 T CB 1.549 70.436 68.868 0.032 0.000 0.902 123 T HN 1.394 nan 8.240 nan 0.000 0.528 124 T N -1.031 113.539 114.554 0.027 0.000 2.693 124 T HA 0.725 6.953 4.350 3.128 0.000 0.278 124 T C 0.804 175.523 174.700 0.033 0.000 0.994 124 T CA -0.386 61.734 62.100 0.033 0.000 1.033 124 T CB 1.367 70.251 68.868 0.027 0.000 1.342 124 T HN 0.474 nan 8.240 nan 0.000 0.538 125 A N -0.597 122.248 122.820 0.042 0.000 2.390 125 A HA 0.363 6.560 4.320 3.128 0.000 0.232 125 A C 1.785 179.384 177.584 0.024 0.000 1.233 125 A CA 0.837 52.902 52.037 0.047 0.000 0.907 125 A CB -0.678 18.379 19.000 0.095 0.000 0.967 125 A HN 0.906 nan 8.150 nan 0.000 0.512 126 E N 1.081 121.291 120.200 0.016 0.000 2.209 126 E HA -0.172 6.055 4.350 3.128 0.000 0.196 126 E C 1.297 177.887 176.600 -0.018 0.000 0.993 126 E CA 1.469 57.871 56.400 0.004 0.000 0.819 126 E CB -0.173 29.530 29.700 0.005 0.000 0.745 126 E HN 0.451 nan 8.360 nan 0.000 0.477 127 N N -0.292 118.389 118.700 -0.031 0.000 2.270 127 N HA 0.120 6.737 4.740 3.128 0.000 0.198 127 N C -0.767 174.671 175.510 -0.121 0.000 1.117 127 N CA 0.062 53.075 53.050 -0.062 0.000 0.845 127 N CB 0.254 38.710 38.487 -0.052 0.000 0.980 127 N HN 0.151 nan 8.380 nan 0.000 0.486 128 L N 0.992 122.145 121.223 -0.116 0.000 2.330 128 L HA 0.412 6.629 4.340 3.128 0.000 0.271 128 L C 0.744 177.512 176.870 -0.170 0.000 1.013 128 L CA -1.141 53.570 54.840 -0.215 0.000 0.816 128 L CB 1.470 43.455 42.059 -0.123 0.000 1.287 128 L HN -0.023 nan 8.230 nan 0.000 0.435 129 K N 0.347 120.592 120.400 -0.258 0.000 2.188 129 K HA 0.168 6.365 4.320 3.128 0.000 0.246 129 K C -0.339 176.243 176.600 -0.031 0.000 1.026 129 K CA -0.615 55.587 56.287 -0.141 0.000 0.871 129 K CB 0.424 32.820 32.500 -0.173 0.000 1.042 129 K HN 0.439 nan 8.250 nan 0.000 0.509 130 E N 0.882 121.084 120.200 0.003 0.000 2.565 130 E HA -0.187 6.040 4.350 3.128 0.000 0.268 130 E C -0.346 176.323 176.600 0.116 0.000 1.000 130 E CA 0.942 57.377 56.400 0.059 0.000 0.964 130 E CB 0.067 29.799 29.700 0.054 0.000 0.955 130 E HN 0.706 nan 8.360 nan 0.000 0.459 131 E N -1.230 119.093 120.200 0.205 0.000 3.680 131 E HA -0.226 6.001 4.350 3.128 0.000 0.309 131 E C 0.491 177.388 176.600 0.495 0.000 0.793 131 E CA 0.530 57.170 56.400 0.401 0.000 1.083 131 E CB -1.485 28.499 29.700 0.474 0.000 1.548 131 E HN 0.663 nan 8.360 nan 0.000 0.456 132 G N 0.269 109.256 108.800 0.313 0.000 2.569 132 G HA2 0.419 6.256 3.960 3.128 0.000 0.249 132 G HA3 0.419 6.256 3.960 3.128 0.000 0.249 132 G C -0.367 174.771 174.900 0.397 0.000 1.216 132 G CA 0.356 45.642 45.100 0.310 0.000 0.845 132 G HN 0.279 nan 8.290 nan 0.000 0.568 133 Y N -2.201 118.247 120.300 0.247 0.000 2.641 133 Y HA 0.695 7.121 4.550 3.128 0.000 0.333 133 Y C -0.617 175.380 175.900 0.161 0.000 1.174 133 Y CA -1.505 56.706 58.100 0.184 0.000 1.057 133 Y CB 0.887 39.464 38.460 0.195 0.000 1.322 133 Y HN 0.897 nan 8.280 nan 0.000 0.457 134 A N 2.889 125.828 122.820 0.199 0.000 2.331 134 A HA 0.779 6.976 4.320 3.128 0.000 0.320 134 A C -1.991 175.752 177.584 0.265 0.000 1.138 134 A CA -0.807 51.303 52.037 0.121 0.000 0.790 134 A CB 1.391 20.440 19.000 0.081 0.000 1.206 134 A HN 1.039 nan 8.150 nan 0.000 0.470 135 L N 3.474 124.837 121.223 0.233 0.000 2.372 135 L HA 0.703 6.920 4.340 3.128 0.000 0.274 135 L C -1.546 175.412 176.870 0.148 0.000 0.988 135 L CA -0.587 54.387 54.840 0.224 0.000 0.833 135 L CB 1.821 44.064 42.059 0.307 0.000 1.236 135 L HN 0.461 nan 8.230 nan 0.000 0.410 136 V N 2.919 122.906 119.914 0.122 0.000 2.444 136 V HA 0.558 6.556 4.120 3.128 0.000 0.294 136 V C -0.136 176.042 176.094 0.139 0.000 1.022 136 V CA -0.529 61.839 62.300 0.112 0.000 0.850 136 V CB 1.636 33.510 31.823 0.086 0.000 0.992 136 V HN 0.808 nan 8.190 nan 0.000 0.426 137 S N 3.681 119.483 115.700 0.170 0.000 2.456 137 S HA 0.689 7.036 4.470 3.128 0.000 0.316 137 S C -0.651 174.137 174.600 0.312 0.000 1.089 137 S CA -0.638 57.724 58.200 0.269 0.000 1.101 137 S CB 1.223 64.564 63.200 0.235 0.000 0.995 137 S HN 0.808 nan 8.310 nan 0.000 0.468 138 N N 1.886 120.771 118.700 0.309 0.000 2.600 138 N HA 0.116 6.734 4.740 3.128 0.000 0.272 138 N C -1.714 173.696 175.510 -0.167 0.000 1.095 138 N CA -0.099 53.028 53.050 0.127 0.000 0.993 138 N CB 1.640 40.169 38.487 0.069 0.000 1.603 138 N HN 0.859 nan 8.380 nan 0.000 0.526 139 D N 3.040 123.204 120.400 -0.394 0.000 2.735 139 D HA -0.164 6.353 4.640 3.128 0.000 0.235 139 D C 0.984 176.886 176.300 -0.664 0.000 1.175 139 D CA 2.485 56.177 54.000 -0.515 0.000 0.683 139 D CB -1.085 39.587 40.800 -0.212 0.000 1.008 139 D HN 1.054 nan 8.370 nan 0.000 0.416 140 G N 0.150 108.140 108.800 -1.349 0.000 2.179 140 G HA2 -0.347 5.490 3.960 3.128 0.000 0.260 140 G HA3 -0.347 5.490 3.960 3.128 0.000 0.260 140 G C 0.383 175.138 174.900 -0.243 0.000 0.977 140 G CA 0.652 45.345 45.100 -0.680 0.000 0.641 140 G HN 0.603 nan 8.290 nan 0.000 0.533 141 K N -0.311 119.971 120.400 -0.197 0.000 2.324 141 K HA 0.744 6.941 4.320 3.128 0.000 0.253 141 K C -0.658 176.038 176.600 0.159 0.000 0.932 141 K CA -0.823 55.471 56.287 0.012 0.000 0.799 141 K CB 1.907 34.395 32.500 -0.021 0.000 1.154 141 K HN 0.154 nan 8.250 nan 0.000 0.425 142 I N 2.172 122.828 120.570 0.143 0.000 2.468 142 I HA 0.305 6.352 4.170 3.128 0.000 0.284 142 I C -0.734 175.401 176.117 0.029 0.000 1.038 142 I CA -0.602 60.778 61.300 0.134 0.000 1.083 142 I CB 1.973 40.055 38.000 0.136 0.000 1.223 142 I HN 0.576 nan 8.210 nan 0.000 0.443 143 A N 7.920 130.767 122.820 0.046 0.000 2.271 143 A HA 0.855 7.052 4.320 3.128 0.000 0.317 143 A C -0.609 176.994 177.584 0.031 0.000 1.245 143 A CA -0.348 51.704 52.037 0.025 0.000 0.857 143 A CB 0.429 19.454 19.000 0.041 0.000 1.175 143 A HN 0.684 nan 8.150 nan 0.000 0.512 144 I N 2.096 122.663 120.570 -0.004 0.000 2.411 144 I HA 0.333 6.380 4.170 3.128 0.000 0.284 144 I C -0.135 176.008 176.117 0.043 0.000 1.012 144 I CA 0.001 61.312 61.300 0.017 0.000 1.119 144 I CB 1.739 39.688 38.000 -0.086 0.000 1.261 144 I HN 0.769 nan 8.210 nan 0.000 0.448 145 E N 5.262 125.531 120.200 0.114 0.000 2.220 145 E HA 0.540 6.768 4.350 3.128 0.000 0.256 145 E C -0.467 176.242 176.600 0.181 0.000 0.881 145 E CA -0.611 55.856 56.400 0.111 0.000 0.766 145 E CB 1.712 31.466 29.700 0.090 0.000 1.187 145 E HN 0.742 nan 8.360 nan 0.000 0.419 146 G N 3.113 112.004 108.800 0.150 0.000 2.377 146 G HA2 0.064 5.901 3.960 3.128 0.000 0.299 146 G HA3 0.064 5.901 3.960 3.128 0.000 0.299 146 G C 0.606 175.591 174.900 0.142 0.000 1.150 146 G CA -0.390 44.826 45.100 0.194 0.000 0.847 146 G HN 0.550 nan 8.290 nan 0.000 0.501 147 K N 0.459 120.953 120.400 0.157 0.000 2.097 147 K HA -0.065 6.132 4.320 3.128 0.000 0.206 147 K C 0.613 177.262 176.600 0.081 0.000 1.049 147 K CA 2.024 58.371 56.287 0.100 0.000 0.933 147 K CB 0.036 32.590 32.500 0.091 0.000 0.717 147 K HN 0.721 nan 8.250 nan 0.000 0.442 148 D N -4.214 116.244 120.400 0.096 0.000 2.781 148 D HA 0.287 6.804 4.640 3.128 0.000 0.295 148 D C 1.084 177.417 176.300 0.056 0.000 1.143 148 D CA -0.289 53.750 54.000 0.065 0.000 1.076 148 D CB -0.015 40.820 40.800 0.058 0.000 1.444 148 D HN -0.097 nan 8.370 nan 0.000 0.567 149 G N -0.788 108.027 108.800 0.024 0.000 2.432 149 G HA2 -0.226 5.611 3.960 3.128 0.000 0.219 149 G HA3 -0.226 5.611 3.960 3.128 0.000 0.219 149 G C 0.775 175.656 174.900 -0.031 0.000 1.135 149 G CA 0.885 45.986 45.100 0.001 0.000 0.767 149 G HN 0.479 nan 8.290 nan 0.000 0.550 150 D N 0.908 121.278 120.400 -0.050 0.000 2.097 150 D HA -0.076 6.441 4.640 3.128 0.000 0.197 150 D C 2.687 178.899 176.300 -0.146 0.000 0.984 150 D CA 1.315 55.204 54.000 -0.184 0.000 0.826 150 D CB -0.893 39.868 40.800 -0.064 0.000 0.973 150 D HN 0.291 nan 8.370 nan 0.000 0.460 151 G N 0.431 109.312 108.800 0.134 0.000 2.469 151 G HA2 -0.283 5.554 3.960 3.128 0.000 0.220 151 G HA3 -0.283 5.554 3.960 3.128 0.000 0.220 151 G C 1.675 176.666 174.900 0.153 0.000 1.136 151 G CA 1.763 47.055 45.100 0.319 0.000 0.759 151 G HN 0.260 nan 8.290 nan 0.000 0.562 152 T N 0.684 115.278 114.554 0.067 0.000 2.737 152 T HA -0.102 6.125 4.350 3.128 0.000 0.265 152 T C 1.958 176.619 174.700 -0.064 0.000 1.038 152 T CA 1.035 63.136 62.100 0.001 0.000 1.144 152 T CB -0.353 68.525 68.868 0.016 0.000 0.866 152 T HN 0.222 nan 8.240 nan 0.000 0.434 153 F N 1.286 121.102 119.950 -0.223 0.000 2.091 153 F HA -0.231 6.167 4.527 3.120 0.000 0.299 153 F C 2.029 177.685 175.800 -0.240 0.000 1.103 153 F CA 1.338 59.179 58.000 -0.266 0.000 1.228 153 F CB -0.463 38.304 39.000 -0.389 0.000 0.984 153 F HN 0.119 nan 8.300 nan 0.000 0.477 154 Y N 0.358 120.624 120.300 -0.055 0.000 2.242 154 Y HA 0.028 6.451 4.550 3.121 0.000 0.291 154 Y C 2.718 178.184 175.900 -0.724 0.000 1.137 154 Y CA 0.607 58.531 58.100 -0.293 0.000 1.181 154 Y CB -1.561 36.882 38.460 -0.029 0.000 0.989 154 Y HN 0.114 nan 8.280 nan 0.000 0.527 155 G N -0.128 108.166 108.800 -0.843 0.000 2.476 155 G HA2 -0.255 5.582 3.960 3.128 0.000 0.218 155 G HA3 -0.255 5.582 3.960 3.128 0.000 0.218 155 G C 1.925 176.567 174.900 -0.431 0.000 1.164 155 G CA 1.592 46.111 45.100 -0.968 0.000 0.768 155 G HN 0.289 nan 8.290 nan 0.000 0.560 156 V N 0.662 120.366 119.914 -0.350 0.000 2.324 156 V HA -0.233 5.764 4.120 3.128 0.000 0.250 156 V C 3.060 178.978 176.094 -0.294 0.000 1.060 156 V CA 2.114 64.243 62.300 -0.285 0.000 1.042 156 V CB -0.389 31.243 31.823 -0.318 0.000 0.650 156 V HN 0.358 nan 8.190 nan 0.000 0.450 157 Q N -0.397 119.167 119.800 -0.394 0.000 2.079 157 Q HA -0.152 6.065 4.340 3.128 0.000 0.200 157 Q C 2.341 178.174 176.000 -0.277 0.000 0.974 157 Q CA 2.106 57.697 55.803 -0.354 0.000 0.840 157 Q CB -0.956 27.582 28.738 -0.335 0.000 0.898 157 Q HN 0.663 nan 8.270 nan 0.000 0.430 158 T N 1.368 115.777 114.554 -0.243 0.000 2.821 158 T HA -0.113 6.114 4.350 3.128 0.000 0.267 158 T C 1.500 176.130 174.700 -0.117 0.000 1.046 158 T CA 1.043 63.057 62.100 -0.143 0.000 1.139 158 T CB -0.404 68.449 68.868 -0.024 0.000 0.871 158 T HN 0.253 nan 8.240 nan 0.000 0.454 159 F N 2.760 122.547 119.950 -0.271 0.000 2.075 159 F HA -0.111 6.292 4.527 3.126 0.000 0.297 159 F C 2.123 177.668 175.800 -0.426 0.000 1.113 159 F CA 1.322 59.150 58.000 -0.287 0.000 1.218 159 F CB -0.304 38.522 39.000 -0.290 0.000 0.984 159 F HN -0.037 nan 8.300 nan 0.000 0.472 160 K N -0.076 119.879 120.400 -0.742 0.000 2.113 160 K HA -0.256 5.941 4.320 3.128 0.000 0.208 160 K C 1.928 178.226 176.600 -0.503 0.000 1.047 160 K CA 2.057 57.693 56.287 -1.086 0.000 0.928 160 K CB -0.564 31.455 32.500 -0.801 0.000 0.716 160 K HN 0.527 nan 8.250 nan 0.000 0.446 161 Q N 0.423 120.025 119.800 -0.330 0.000 2.378 161 Q HA 0.008 6.225 4.340 3.128 0.000 0.205 161 Q C 2.043 177.933 176.000 -0.184 0.000 0.954 161 Q CA 0.548 56.237 55.803 -0.189 0.000 0.901 161 Q CB 0.040 28.694 28.738 -0.139 0.000 0.981 161 Q HN 0.316 nan 8.270 nan 0.000 0.483 162 L N -0.106 120.959 121.223 -0.263 0.000 2.162 162 L HA 0.008 6.225 4.340 3.128 0.000 0.205 162 L C 0.700 177.425 176.870 -0.241 0.000 1.086 162 L CA 0.116 54.825 54.840 -0.218 0.000 0.778 162 L CB 0.260 42.206 42.059 -0.189 0.000 0.928 162 L HN -0.059 nan 8.230 nan 0.000 0.446 163 V N 1.831 121.537 119.914 -0.347 0.000 2.421 163 V HA -0.020 5.977 4.120 3.128 0.000 0.271 163 V C 0.293 176.328 176.094 -0.099 0.000 1.031 163 V CA 0.156 62.316 62.300 -0.234 0.000 1.032 163 V CB 0.250 31.948 31.823 -0.209 0.000 1.009 163 V HN 0.175 nan 8.190 nan 0.000 0.477 164 K N 4.798 125.140 120.400 -0.096 0.000 2.464 164 K HA 0.351 6.548 4.320 3.128 0.000 0.252 164 K C 0.048 176.610 176.600 -0.064 0.000 1.000 164 K CA -0.465 55.783 56.287 -0.066 0.000 0.951 164 K CB 0.390 32.853 32.500 -0.061 0.000 1.183 164 K HN 0.753 nan 8.250 nan 0.000 0.445 165 E N 2.711 122.876 120.200 -0.059 0.000 2.230 165 E HA -0.222 6.005 4.350 3.128 0.000 0.206 165 E C -0.592 175.977 176.600 -0.051 0.000 1.309 165 E CA 0.827 57.193 56.400 -0.056 0.000 0.697 165 E CB -1.263 28.409 29.700 -0.046 0.000 1.146 165 E HN 0.902 nan 8.360 nan 0.000 0.363 166 S N -1.805 113.863 115.700 -0.054 0.000 3.270 166 S HA -0.228 6.119 4.470 3.128 0.000 0.293 166 S C -0.051 174.514 174.600 -0.059 0.000 1.278 166 S CA 1.226 59.404 58.200 -0.036 0.000 1.038 166 S CB -0.573 62.620 63.200 -0.013 0.000 1.218 166 S HN 0.517 nan 8.310 nan 0.000 0.659 167 N N 0.464 119.108 118.700 -0.092 0.000 2.362 167 N HA 0.709 7.326 4.740 3.128 0.000 0.298 167 N C -0.700 174.688 175.510 -0.203 0.000 1.048 167 N CA -0.316 52.652 53.050 -0.137 0.000 0.858 167 N CB 1.813 40.246 38.487 -0.089 0.000 1.218 167 N HN 0.428 nan 8.380 nan 0.000 0.488 168 I N 2.059 122.433 120.570 -0.326 0.000 2.686 168 I HA 0.457 6.504 4.170 3.128 0.000 0.295 168 I C -2.610 173.323 176.117 -0.307 0.000 1.114 168 I CA -2.448 58.653 61.300 -0.331 0.000 1.038 168 I CB 3.134 40.896 38.000 -0.397 0.000 1.238 168 I HN 0.231 nan 8.210 nan 0.000 0.420 169 P HA 0.211 nan 4.420 nan 0.000 0.276 169 P C -1.490 175.791 177.300 -0.032 0.000 1.252 169 P CA -0.285 62.768 63.100 -0.078 0.000 0.802 169 P CB 0.448 32.125 31.700 -0.039 0.000 1.035 170 E N 0.163 120.398 120.200 0.058 0.000 2.044 170 E HA 0.323 6.550 4.350 3.128 0.000 0.282 170 E C -0.390 176.265 176.600 0.092 0.000 1.031 170 E CA -0.552 55.930 56.400 0.136 0.000 0.824 170 E CB 0.375 30.189 29.700 0.191 0.000 1.076 170 E HN 0.224 nan 8.360 nan 0.000 0.395 171 V N 0.816 120.786 119.914 0.094 0.000 2.914 171 V HA 0.555 6.552 4.120 3.128 0.000 0.314 171 V C -0.489 175.654 176.094 0.082 0.000 1.084 171 V CA -1.085 61.259 62.300 0.073 0.000 0.963 171 V CB 2.279 34.137 31.823 0.058 0.000 1.025 171 V HN 0.455 nan 8.190 nan 0.000 0.432 172 N N 2.366 121.104 118.700 0.064 0.000 2.479 172 N HA 0.605 7.222 4.740 3.128 0.000 0.261 172 N C -1.404 174.137 175.510 0.051 0.000 0.979 172 N CA -0.234 52.852 53.050 0.060 0.000 0.930 172 N CB 1.486 40.002 38.487 0.048 0.000 1.172 172 N HN 0.795 nan 8.380 nan 0.000 0.499 173 I N 1.846 122.452 120.570 0.060 0.000 2.433 173 I HA 0.296 6.343 4.170 3.128 0.000 0.292 173 I C 0.192 176.300 176.117 -0.014 0.000 1.001 173 I CA -0.606 60.715 61.300 0.035 0.000 1.119 173 I CB 2.024 40.072 38.000 0.082 0.000 1.289 173 I HN 0.353 nan 8.210 nan 0.000 0.438 174 T N 0.738 115.262 114.554 -0.051 0.000 2.863 174 T HA 0.688 6.915 4.350 3.128 0.000 0.285 174 T C -1.000 173.611 174.700 -0.149 0.000 1.009 174 T CA -0.760 61.279 62.100 -0.100 0.000 0.989 174 T CB 2.528 71.399 68.868 0.006 0.000 1.004 174 T HN 0.460 nan 8.240 nan 0.000 0.455 175 D N 0.722 120.955 120.400 -0.278 0.000 2.655 175 D HA 0.609 7.126 4.640 3.128 0.000 0.229 175 D C -1.723 174.602 176.300 0.041 0.000 1.229 175 D CA -0.341 53.529 54.000 -0.216 0.000 0.807 175 D CB 1.901 42.504 40.800 -0.328 0.000 1.514 175 D HN 0.804 nan 8.370 nan 0.000 0.444 176 Y N -1.303 118.978 120.300 -0.032 0.000 2.638 176 Y HA 0.532 6.959 4.550 3.128 0.000 0.334 176 Y C -3.115 172.130 175.900 -1.093 0.000 1.182 176 Y CA -1.726 56.150 58.100 -0.372 0.000 1.102 176 Y CB 0.677 38.992 38.460 -0.240 0.000 1.343 176 Y HN 0.073 nan 8.280 nan 0.000 0.463 177 P HA 0.219 nan 4.420 nan 0.000 0.277 177 P C -0.037 176.912 177.300 -0.585 0.000 1.240 177 P CA -0.062 62.141 63.100 -1.494 0.000 0.798 177 P CB 2.100 33.124 31.700 -1.125 0.000 0.979 178 T N -0.068 114.206 114.554 -0.467 0.000 2.894 178 T HA 0.057 6.284 4.350 3.128 0.000 0.258 178 T C 0.839 175.427 174.700 -0.187 0.000 1.043 178 T CA 0.918 62.863 62.100 -0.257 0.000 1.141 178 T CB -0.055 68.652 68.868 -0.270 0.000 0.873 178 T HN 0.218 nan 8.240 nan 0.000 0.449 179 V N 1.462 121.257 119.914 -0.198 0.000 2.513 179 V HA 0.340 6.337 4.120 3.128 0.000 0.299 179 V C 0.753 176.792 176.094 -0.091 0.000 1.035 179 V CA -0.436 61.802 62.300 -0.103 0.000 0.889 179 V CB 1.929 33.708 31.823 -0.073 0.000 0.988 179 V HN 0.195 nan 8.190 nan 0.000 0.440 180 S N 2.340 118.013 115.700 -0.044 0.000 2.446 180 S HA 0.181 6.528 4.470 3.128 0.000 0.225 180 S C 0.822 175.385 174.600 -0.062 0.000 1.016 180 S CA 0.805 58.983 58.200 -0.037 0.000 0.943 180 S CB 0.236 63.439 63.200 0.006 0.000 0.786 180 S HN 0.940 nan 8.310 nan 0.000 0.508 181 A N 1.955 124.690 122.820 -0.143 0.000 2.291 181 A HA 0.723 6.920 4.320 3.128 0.000 0.311 181 A C -0.350 177.067 177.584 -0.278 0.000 1.224 181 A CA -0.723 51.086 52.037 -0.381 0.000 0.821 181 A CB 0.645 19.012 19.000 -1.055 0.000 1.172 181 A HN 0.331 nan 8.150 nan 0.000 0.494 182 R N 2.005 122.420 120.500 -0.141 0.000 2.532 182 R HA 0.734 6.951 4.340 3.128 0.000 0.297 182 R C 0.362 176.647 176.300 -0.026 0.000 0.984 182 R CA -0.052 56.054 56.100 0.010 0.000 0.884 182 R CB 2.262 32.613 30.300 0.084 0.000 1.182 182 R HN 1.061 nan 8.270 nan 0.000 0.442 183 G N 2.137 110.927 108.800 -0.016 0.000 2.593 183 G HA2 0.304 6.141 3.960 3.128 0.000 0.103 183 G HA3 0.304 6.141 3.960 3.128 0.000 0.103 183 G C -1.778 173.047 174.900 -0.125 0.000 1.103 183 G CA -0.438 44.594 45.100 -0.113 0.000 1.109 183 G HN 0.277 nan 8.290 nan 0.000 0.516 184 I N 0.167 120.645 120.570 -0.154 0.000 2.582 184 I HA 0.599 6.646 4.170 3.128 0.000 0.292 184 I C -0.494 175.516 176.117 -0.178 0.000 1.066 184 I CA -0.971 60.270 61.300 -0.097 0.000 1.053 184 I CB 2.082 40.115 38.000 0.056 0.000 1.241 184 I HN 0.432 nan 8.210 nan 0.000 0.421 185 V N 6.406 126.112 119.914 -0.348 0.000 2.328 185 V HA 0.396 6.393 4.120 3.128 0.000 0.278 185 V C 0.058 175.811 176.094 -0.568 0.000 1.021 185 V CA -0.320 61.632 62.300 -0.581 0.000 0.838 185 V CB 1.208 32.431 31.823 -0.999 0.000 0.999 185 V HN 0.828 nan 8.190 nan 0.000 0.447 186 E N 4.924 124.761 120.200 -0.604 0.000 1.865 186 E HA 0.375 6.602 4.350 3.128 0.000 0.269 186 E C 0.766 176.838 176.600 -0.880 0.000 1.177 186 E CA 0.421 56.375 56.400 -0.744 0.000 0.932 186 E CB 0.389 29.660 29.700 -0.714 0.000 1.066 186 E HN 0.935 nan 8.360 nan 0.000 0.405 187 G N 4.336 112.705 108.800 -0.718 0.000 4.008 187 G HA2 0.081 5.918 3.960 3.128 0.000 0.278 187 G HA3 0.081 5.918 3.960 3.128 0.000 0.278 187 G C -0.138 174.604 174.900 -0.264 0.000 1.021 187 G CA -0.407 44.409 45.100 -0.473 0.000 0.833 187 G HN 0.440 nan 8.290 nan 0.000 0.454 188 F N -0.390 119.435 119.950 -0.209 0.000 2.370 188 F HA 0.793 7.171 4.527 3.084 0.000 0.319 188 F C -0.058 175.640 175.800 -0.170 0.000 1.129 188 F CA -2.390 55.553 58.000 -0.095 0.000 1.109 188 F CB 0.373 39.339 39.000 -0.056 0.000 1.262 188 F HN -0.042 nan 8.300 nan 0.000 0.534 189 Y N 0.475 120.945 120.300 0.282 0.000 2.316 189 Y HA 0.558 6.988 4.550 3.134 0.000 0.324 189 Y C 0.928 177.016 175.900 0.313 0.000 1.267 189 Y CA 0.297 58.517 58.100 0.200 0.000 1.311 189 Y CB 1.003 39.558 38.460 0.158 0.000 1.267 189 Y HN 1.107 nan 8.280 nan 0.000 0.516 190 G N -0.105 108.916 108.800 0.370 0.000 2.566 190 G HA2 -0.162 5.675 3.960 3.128 0.000 0.599 190 G HA3 -0.162 5.675 3.960 3.128 0.000 0.599 190 G C -0.880 174.183 174.900 0.271 0.000 1.292 190 G CA -0.927 44.337 45.100 0.274 0.000 0.922 190 G HN 0.602 nan 8.290 nan 0.000 0.514 191 T N 3.579 118.259 114.554 0.210 0.000 2.738 191 T HA 0.393 6.620 4.350 3.128 0.000 0.277 191 T C -1.734 173.162 174.700 0.328 0.000 0.981 191 T CA 0.541 62.767 62.100 0.210 0.000 1.211 191 T CB 0.389 69.351 68.868 0.157 0.000 0.932 191 T HN 0.541 nan 8.240 nan 0.000 0.522 192 P HA 0.066 nan 4.420 nan 0.000 0.270 192 P C -0.034 177.519 177.300 0.423 0.000 1.223 192 P CA -0.709 62.529 63.100 0.230 0.000 0.785 192 P CB 0.405 32.147 31.700 0.070 0.000 0.923 193 W N 1.297 122.779 121.300 0.302 0.000 2.314 193 W HA 0.053 6.274 4.660 2.601 0.000 0.339 193 W C 1.059 177.693 176.519 0.191 0.000 1.293 193 W CA -0.075 57.412 57.345 0.236 0.000 1.288 193 W CB -1.145 28.464 29.460 0.247 0.000 1.186 193 W HN 0.315 nan 8.180 nan 0.000 0.566 194 T N -0.767 114.000 114.554 0.355 0.000 2.860 194 T HA -0.030 6.197 4.350 3.128 0.000 0.299 194 T C 1.174 176.030 174.700 0.260 0.000 1.045 194 T CA 0.107 62.362 62.100 0.258 0.000 1.071 194 T CB 0.989 69.954 68.868 0.162 0.000 0.985 194 T HN 0.505 nan 8.240 nan 0.000 0.537 195 H N 1.877 121.033 119.070 0.144 0.000 2.292 195 H HA -0.193 6.244 4.556 3.135 0.000 0.292 195 H C 2.165 177.526 175.328 0.055 0.000 1.100 195 H CA 2.823 58.934 56.048 0.105 0.000 1.238 195 H CB -0.461 29.340 29.762 0.065 0.000 1.355 195 H HN 0.790 nan 8.280 nan 0.000 0.484 196 Q N 0.224 120.006 119.800 -0.030 0.000 2.084 196 Q HA -0.113 6.104 4.340 3.128 0.000 0.202 196 Q C 2.004 177.916 176.000 -0.146 0.000 0.978 196 Q CA 1.494 57.222 55.803 -0.125 0.000 0.844 196 Q CB -0.135 28.578 28.738 -0.041 0.000 0.898 196 Q HN 0.536 nan 8.270 nan 0.000 0.426 197 D N 0.701 121.041 120.400 -0.100 0.000 2.137 197 D HA -0.175 6.342 4.640 3.128 0.000 0.189 197 D C 1.948 178.103 176.300 -0.241 0.000 0.998 197 D CA 1.525 55.404 54.000 -0.201 0.000 0.839 197 D CB -0.205 40.491 40.800 -0.173 0.000 0.962 197 D HN 0.253 nan 8.370 nan 0.000 0.446 198 R N 0.148 120.608 120.500 -0.066 0.000 2.083 198 R HA -0.061 6.156 4.340 3.128 0.000 0.237 198 R C 2.698 178.863 176.300 -0.226 0.000 1.137 198 R CA 0.664 56.725 56.100 -0.064 0.000 0.951 198 R CB -0.562 29.811 30.300 0.120 0.000 0.851 198 R HN 0.210 nan 8.270 nan 0.000 0.434 199 L N 0.726 121.798 121.223 -0.252 0.000 2.013 199 L HA -0.272 5.945 4.340 3.128 0.000 0.212 199 L C 2.253 178.991 176.870 -0.219 0.000 1.073 199 L CA 1.805 56.493 54.840 -0.253 0.000 0.753 199 L CB -0.526 41.348 42.059 -0.309 0.000 0.890 199 L HN 0.236 nan 8.230 nan 0.000 0.432 200 D N -1.179 119.085 120.400 -0.227 0.000 2.104 200 D HA -0.222 6.295 4.640 3.128 0.000 0.194 200 D C 2.270 178.412 176.300 -0.264 0.000 0.994 200 D CA 1.098 54.969 54.000 -0.214 0.000 0.830 200 D CB 0.133 40.797 40.800 -0.227 0.000 0.959 200 D HN 0.183 nan 8.370 nan 0.000 0.452 201 Q N -0.097 119.465 119.800 -0.397 0.000 2.084 201 Q HA -0.122 6.095 4.340 3.128 0.000 0.202 201 Q C 2.592 178.020 176.000 -0.954 0.000 0.978 201 Q CA 0.841 56.278 55.803 -0.611 0.000 0.844 201 Q CB -0.248 28.130 28.738 -0.601 0.000 0.898 201 Q HN 0.514 nan 8.270 nan 0.000 0.426 202 I N 0.654 120.860 120.570 -0.606 0.000 2.226 202 I HA -0.296 5.752 4.170 3.128 0.000 0.245 202 I C 2.300 178.320 176.117 -0.161 0.000 1.100 202 I CA 1.235 62.312 61.300 -0.371 0.000 1.374 202 I CB -0.149 37.762 38.000 -0.149 0.000 1.057 202 I HN 0.137 nan 8.210 nan 0.000 0.413 203 K N 0.108 120.444 120.400 -0.107 0.000 2.057 203 K HA -0.201 5.996 4.320 3.128 0.000 0.207 203 K C 2.117 178.757 176.600 0.067 0.000 1.049 203 K CA 1.569 57.865 56.287 0.016 0.000 0.931 203 K CB -0.328 32.178 32.500 0.010 0.000 0.714 203 K HN 0.142 nan 8.250 nan 0.000 0.440 204 F N 0.968 120.831 119.950 -0.144 0.000 2.126 204 F HA -0.273 6.072 4.527 3.031 0.000 0.299 204 F C 1.730 177.600 175.800 0.116 0.000 1.096 204 F CA 1.469 59.435 58.000 -0.057 0.000 1.255 204 F CB -0.236 38.694 39.000 -0.117 0.000 0.997 204 F HN 0.015 nan 8.300 nan 0.000 0.479 205 Y N 0.481 120.779 120.300 -0.002 0.000 2.181 205 Y HA -0.016 4.966 4.550 0.720 0.000 0.288 205 Y C 2.804 178.709 175.900 0.008 0.000 1.146 205 Y CA 0.533 58.601 58.100 -0.052 0.000 1.164 205 Y CB -1.754 36.770 38.460 0.107 0.000 0.982 205 Y HN 0.113 nan 8.280 nan 0.000 0.515 206 G N -0.009 108.949 108.800 0.263 0.000 2.440 206 G HA2 -0.254 5.583 3.960 3.128 0.000 0.218 206 G HA3 -0.254 5.583 3.960 3.128 0.000 0.218 206 G C 1.463 176.526 174.900 0.271 0.000 1.154 206 G CA 0.990 46.348 45.100 0.431 0.000 0.767 206 G HN 0.456 nan 8.290 nan 0.000 0.552 207 E N 0.255 120.484 120.200 0.047 0.000 2.347 207 E HA -0.003 6.224 4.350 3.128 0.000 0.196 207 E C 1.210 177.696 176.600 -0.191 0.000 1.008 207 E CA 0.384 56.732 56.400 -0.086 0.000 0.852 207 E CB 0.107 29.771 29.700 -0.061 0.000 0.783 207 E HN 0.381 nan 8.360 nan 0.000 0.505 208 N N -0.018 118.537 118.700 -0.241 0.000 2.170 208 N HA 0.089 6.706 4.740 3.128 0.000 0.222 208 N C -0.567 174.734 175.510 -0.349 0.000 1.218 208 N CA 0.109 52.940 53.050 -0.364 0.000 0.889 208 N CB 0.912 39.085 38.487 -0.523 0.000 1.083 208 N HN -0.015 nan 8.380 nan 0.000 0.520 209 K N 0.451 120.694 120.400 -0.262 0.000 3.339 209 K HA -0.138 6.059 4.320 3.128 0.000 0.299 209 K C -0.565 175.932 176.600 -0.171 0.000 1.270 209 K CA 0.477 56.469 56.287 -0.491 0.000 0.875 209 K CB -1.730 30.051 32.500 -1.198 0.000 1.298 209 K HN 0.192 nan 8.250 nan 0.000 0.485 210 L N 1.652 122.882 121.223 0.011 0.000 2.326 210 L HA 0.201 6.418 4.340 3.128 0.000 0.278 210 L C 1.246 178.223 176.870 0.179 0.000 1.092 210 L CA -0.443 54.438 54.840 0.069 0.000 0.810 210 L CB 0.595 42.645 42.059 -0.015 0.000 1.153 210 L HN 0.189 nan 8.230 nan 0.000 0.439 211 N N -0.469 118.318 118.700 0.144 0.000 2.241 211 N HA 0.081 6.698 4.740 3.128 0.000 0.238 211 N C -0.581 174.991 175.510 0.104 0.000 1.244 211 N CA -0.342 52.816 53.050 0.181 0.000 0.880 211 N CB 1.040 39.657 38.487 0.217 0.000 1.179 211 N HN 0.448 nan 8.380 nan 0.000 0.513 212 T N 0.816 115.411 114.554 0.069 0.000 3.143 212 T HA 0.189 6.416 4.350 3.128 0.000 0.312 212 T C -2.237 172.520 174.700 0.095 0.000 0.986 212 T CA -0.465 61.654 62.100 0.031 0.000 1.024 212 T CB 0.995 69.777 68.868 -0.143 0.000 1.030 212 T HN 0.205 nan 8.240 nan 0.000 0.448 213 Y N 4.658 124.983 120.300 0.042 0.000 2.331 213 Y HA 0.697 7.113 4.550 3.110 0.000 0.334 213 Y C -1.182 174.657 175.900 -0.102 0.000 0.960 213 Y CA -1.462 56.669 58.100 0.051 0.000 1.130 213 Y CB 0.680 39.325 38.460 0.309 0.000 1.164 213 Y HN 0.597 nan 8.280 nan 0.000 0.458 214 I N 7.690 127.835 120.570 -0.708 0.000 2.304 214 I HA 0.137 6.184 4.170 3.128 0.000 0.291 214 I C -0.984 174.472 176.117 -1.100 0.000 1.018 214 I CA -0.910 59.925 61.300 -0.775 0.000 1.260 214 I CB 0.669 38.418 38.000 -0.419 0.000 1.390 214 I HN 0.636 nan 8.210 nan 0.000 0.475 215 Y N 6.922 126.518 120.300 -1.172 0.000 2.486 215 Y HA 0.470 6.887 4.550 3.111 0.000 0.348 215 Y C 0.426 175.909 175.900 -0.696 0.000 1.000 215 Y CA -0.321 57.286 58.100 -0.822 0.000 1.253 215 Y CB 0.728 38.893 38.460 -0.491 0.000 1.140 215 Y HN 0.646 nan 8.280 nan 0.000 0.526 216 A N 7.660 129.793 122.820 -1.144 0.000 3.019 216 A HA 0.313 6.510 4.320 3.128 0.000 0.202 216 A C -3.039 173.769 177.584 -1.293 0.000 0.924 216 A CA -0.880 50.381 52.037 -1.293 0.000 1.156 216 A CB -0.257 18.415 19.000 -0.547 0.000 1.265 216 A HN 0.487 nan 8.150 nan 0.000 0.526 217 P HA 0.128 nan 4.420 nan 0.000 0.271 217 P C 0.621 177.595 177.300 -0.543 0.000 1.233 217 P CA 0.121 62.679 63.100 -0.904 0.000 0.764 217 P CB 1.089 32.341 31.700 -0.746 0.000 0.825 218 K N 2.080 122.191 120.400 -0.483 0.000 2.113 218 K HA -0.153 6.044 4.320 3.128 0.000 0.208 218 K C 0.574 177.109 176.600 -0.109 0.000 1.047 218 K CA 1.625 57.716 56.287 -0.328 0.000 0.928 218 K CB -0.363 31.609 32.500 -0.881 0.000 0.716 218 K HN 0.474 nan 8.250 nan 0.000 0.446 219 D N 0.626 120.966 120.400 -0.100 0.000 2.349 219 D HA -0.041 6.476 4.640 3.128 0.000 0.214 219 D C -0.190 176.146 176.300 0.061 0.000 1.063 219 D CA 0.066 54.083 54.000 0.028 0.000 0.847 219 D CB -0.076 40.771 40.800 0.079 0.000 0.933 219 D HN 0.132 nan 8.370 nan 0.000 0.513 220 D N 0.950 121.385 120.400 0.058 0.000 2.344 220 D HA 0.050 6.567 4.640 3.128 0.000 0.253 220 D C -1.648 174.778 176.300 0.211 0.000 1.255 220 D CA -1.779 52.342 54.000 0.201 0.000 0.894 220 D CB 1.584 42.556 40.800 0.288 0.000 1.067 220 D HN -0.116 nan 8.370 nan 0.000 0.492 221 P HA -0.162 nan 4.420 nan 0.000 0.217 221 P C 0.570 177.790 177.300 -0.133 0.000 1.148 221 P CA 1.206 64.270 63.100 -0.059 0.000 0.828 221 P CB -0.052 31.521 31.700 -0.213 0.000 0.783 222 Y N -2.679 117.632 120.300 0.019 0.000 2.516 222 Y HA -0.086 6.340 4.550 3.126 0.000 0.291 222 Y C 2.531 178.446 175.900 0.023 0.000 1.131 222 Y CA 0.957 58.963 58.100 -0.157 0.000 1.281 222 Y CB -1.016 37.029 38.460 -0.693 0.000 1.013 222 Y HN 0.159 nan 8.280 nan 0.000 0.554 223 H N -0.440 118.774 119.070 0.239 0.000 2.512 223 H HA 0.145 6.586 4.556 3.141 0.000 0.279 223 H C 2.106 177.473 175.328 0.065 0.000 0.999 223 H CA 1.175 57.325 56.048 0.170 0.000 1.283 223 H CB 0.370 30.187 29.762 0.091 0.000 1.421 223 H HN 0.166 nan 8.280 nan 0.000 0.554 224 R N -1.088 119.365 120.500 -0.078 0.000 5.324 224 R HA 0.070 6.287 4.340 3.128 0.000 0.103 224 R C 1.956 178.296 176.300 0.066 0.000 0.980 224 R CA 0.380 56.412 56.100 -0.115 0.000 0.877 224 R CB -0.229 29.993 30.300 -0.131 0.000 1.354 224 R HN 0.190 nan 8.270 nan 0.000 0.391 225 E N 1.098 121.314 120.200 0.026 0.000 2.114 225 E HA -0.191 6.036 4.350 3.128 0.000 0.199 225 E C -0.233 176.334 176.600 -0.054 0.000 1.008 225 E CA 1.409 57.814 56.400 0.008 0.000 0.810 225 E CB 0.229 29.917 29.700 -0.019 0.000 0.739 225 E HN 0.136 nan 8.360 nan 0.000 0.456 226 K N 0.632 120.951 120.400 -0.135 0.000 3.022 226 K HA 0.095 6.292 4.320 3.128 0.000 0.178 226 K C 0.578 177.024 176.600 -0.257 0.000 1.089 226 K CA -0.405 55.714 56.287 -0.280 0.000 0.916 226 K CB 0.185 32.449 32.500 -0.393 0.000 1.159 226 K HN 0.330 nan 8.250 nan 0.000 0.592 227 W N 0.811 122.001 121.300 -0.184 0.000 2.425 227 W HA -0.099 6.437 4.660 3.127 0.000 0.277 227 W C 0.706 177.141 176.519 -0.140 0.000 1.231 227 W CA 0.318 57.566 57.345 -0.162 0.000 1.248 227 W CB -0.370 28.968 29.460 -0.203 0.000 1.117 227 W HN 0.133 nan 8.180 nan 0.000 0.568 228 R N 1.140 121.031 120.500 -1.016 0.000 2.189 228 R HA 0.005 6.222 4.340 3.128 0.000 0.218 228 R C 0.575 176.560 176.300 -0.525 0.000 1.074 228 R CA 0.716 56.196 56.100 -1.033 0.000 0.991 228 R CB -0.134 29.280 30.300 -1.476 0.000 0.883 228 R HN 0.234 nan 8.270 nan 0.000 0.457 229 E N 1.711 121.705 120.200 -0.343 0.000 2.313 229 E HA 0.161 6.388 4.350 3.128 0.000 0.276 229 E C -2.364 174.242 176.600 0.011 0.000 1.031 229 E CA -2.176 54.133 56.400 -0.152 0.000 0.857 229 E CB 0.793 30.413 29.700 -0.134 0.000 1.040 229 E HN -0.058 nan 8.360 nan 0.000 0.408 230 P HA -0.013 nan 4.420 nan 0.000 0.272 230 P C -0.913 176.349 177.300 -0.063 0.000 1.223 230 P CA 0.050 63.163 63.100 0.022 0.000 0.784 230 P CB 0.249 31.970 31.700 0.036 0.000 0.923 231 Y N 2.237 122.459 120.300 -0.129 0.000 2.511 231 Y HA 0.160 6.589 4.550 3.132 0.000 0.332 231 Y C -1.412 174.313 175.900 -0.291 0.000 1.177 231 Y CA -1.277 56.569 58.100 -0.423 0.000 1.422 231 Y CB -0.776 37.508 38.460 -0.294 0.000 1.271 231 Y HN 0.355 nan 8.280 nan 0.000 0.550 232 P HA 0.005 nan 4.420 nan 0.000 0.272 232 P C 0.607 177.883 177.300 -0.041 0.000 1.223 232 P CA -0.162 62.903 63.100 -0.059 0.000 0.784 232 P CB 0.884 32.562 31.700 -0.037 0.000 0.923 233 E N 1.305 121.490 120.200 -0.026 0.000 2.086 233 E HA -0.239 5.988 4.350 3.128 0.000 0.205 233 E C 1.947 178.512 176.600 -0.058 0.000 1.027 233 E CA 2.297 58.675 56.400 -0.036 0.000 0.830 233 E CB -0.823 28.863 29.700 -0.024 0.000 0.751 233 E HN 0.622 nan 8.360 nan 0.000 0.456 234 S N 0.861 116.531 115.700 -0.049 0.000 2.378 234 S HA -0.285 6.062 4.470 3.128 0.000 0.229 234 S C 2.027 176.563 174.600 -0.106 0.000 1.052 234 S CA 1.945 60.107 58.200 -0.064 0.000 1.084 234 S CB -0.381 62.796 63.200 -0.037 0.000 0.950 234 S HN 0.162 nan 8.310 nan 0.000 0.440 235 E N 0.510 120.648 120.200 -0.103 0.000 2.274 235 E HA 0.053 6.280 4.350 3.128 0.000 0.194 235 E C 1.992 178.440 176.600 -0.253 0.000 0.996 235 E CA 0.905 57.209 56.400 -0.160 0.000 0.840 235 E CB -0.288 29.352 29.700 -0.100 0.000 0.772 235 E HN 0.496 nan 8.360 nan 0.000 0.491 236 M N 0.019 119.504 119.600 -0.191 0.000 2.200 236 M HA -0.086 6.271 4.480 3.128 0.000 0.265 236 M C 2.093 178.273 176.300 -0.199 0.000 1.066 236 M CA 1.268 56.443 55.300 -0.208 0.000 1.127 236 M CB -0.782 31.746 32.600 -0.120 0.000 1.379 236 M HN 0.194 nan 8.290 nan 0.000 0.420 237 Q N 0.690 120.394 119.800 -0.161 0.000 2.084 237 Q HA -0.128 6.089 4.340 3.128 0.000 0.202 237 Q C 2.096 177.987 176.000 -0.181 0.000 0.978 237 Q CA 1.540 57.255 55.803 -0.145 0.000 0.844 237 Q CB -0.136 28.536 28.738 -0.110 0.000 0.898 237 Q HN 0.460 nan 8.270 nan 0.000 0.426 238 R N -0.582 119.761 120.500 -0.262 0.000 2.091 238 R HA -0.102 6.115 4.340 3.128 0.000 0.238 238 R C 2.464 178.647 176.300 -0.195 0.000 1.136 238 R CA 1.643 57.506 56.100 -0.394 0.000 0.959 238 R CB -0.229 29.685 30.300 -0.643 0.000 0.856 238 R HN 0.253 nan 8.270 nan 0.000 0.437 239 M N 0.337 119.776 119.600 -0.269 0.000 2.082 239 M HA -0.231 6.126 4.480 3.128 0.000 0.258 239 M C 2.310 178.415 176.300 -0.325 0.000 1.069 239 M CA 1.685 56.781 55.300 -0.340 0.000 1.102 239 M CB -0.777 31.552 32.600 -0.453 0.000 1.336 239 M HN 0.109 nan 8.290 nan 0.000 0.404 240 Q N 0.979 120.634 119.800 -0.243 0.000 2.045 240 Q HA -0.198 6.019 4.340 3.128 0.000 0.206 240 Q C 1.691 177.603 176.000 -0.146 0.000 0.991 240 Q CA 2.208 57.894 55.803 -0.194 0.000 0.851 240 Q CB -0.234 28.421 28.738 -0.139 0.000 0.911 240 Q HN 0.594 nan 8.270 nan 0.000 0.418 241 E N -0.337 119.820 120.200 -0.072 0.000 2.118 241 E HA -0.183 6.044 4.350 3.128 0.000 0.195 241 E C 2.077 178.661 176.600 -0.028 0.000 0.992 241 E CA 1.268 57.666 56.400 -0.003 0.000 0.804 241 E CB -0.214 29.563 29.700 0.130 0.000 0.741 241 E HN 0.380 nan 8.360 nan 0.000 0.458 242 L N 0.460 121.663 121.223 -0.034 0.000 2.056 242 L HA -0.164 6.053 4.340 3.128 0.000 0.207 242 L C 2.415 179.172 176.870 -0.188 0.000 1.078 242 L CA 0.861 55.658 54.840 -0.071 0.000 0.749 242 L CB -0.313 41.738 42.059 -0.013 0.000 0.901 242 L HN 0.152 nan 8.230 nan 0.000 0.433 243 I N -0.106 120.236 120.570 -0.380 0.000 2.202 243 I HA -0.272 5.775 4.170 3.128 0.000 0.242 243 I C 2.226 178.249 176.117 -0.156 0.000 1.091 243 I CA 1.095 62.179 61.300 -0.360 0.000 1.368 243 I CB -0.447 37.306 38.000 -0.411 0.000 1.058 243 I HN 0.290 nan 8.210 nan 0.000 0.410 244 N N 1.199 119.821 118.700 -0.132 0.000 2.104 244 N HA -0.164 6.453 4.740 3.128 0.000 0.190 244 N C 1.873 177.348 175.510 -0.058 0.000 1.024 244 N CA 1.726 54.726 53.050 -0.083 0.000 0.853 244 N CB -0.493 37.953 38.487 -0.069 0.000 1.008 244 N HN 0.395 nan 8.380 nan 0.000 0.424 245 A N 0.320 123.108 122.820 -0.052 0.000 1.930 245 A HA -0.035 6.163 4.320 3.128 0.000 0.217 245 A C 2.497 180.073 177.584 -0.013 0.000 1.175 245 A CA 1.470 53.486 52.037 -0.035 0.000 0.627 245 A CB -0.626 18.345 19.000 -0.048 0.000 0.815 245 A HN 0.238 nan 8.150 nan 0.000 0.443 246 S N -0.118 115.594 115.700 0.020 0.000 2.356 246 S HA -0.082 6.266 4.470 3.128 0.000 0.223 246 S C 2.330 176.935 174.600 0.008 0.000 1.032 246 S CA 1.306 59.556 58.200 0.083 0.000 1.005 246 S CB -0.454 62.870 63.200 0.208 0.000 0.867 246 S HN 0.793 nan 8.310 nan 0.000 0.449 247 A N 1.385 124.188 122.820 -0.028 0.000 1.902 247 A HA -0.122 6.075 4.320 3.128 0.000 0.217 247 A C 1.916 179.419 177.584 -0.134 0.000 1.181 247 A CA 1.454 53.446 52.037 -0.075 0.000 0.623 247 A CB -0.650 18.311 19.000 -0.064 0.000 0.818 247 A HN 0.531 nan 8.150 nan 0.000 0.443 248 E N -0.289 119.851 120.200 -0.098 0.000 2.219 248 E HA -0.170 6.057 4.350 3.128 0.000 0.198 248 E C 0.671 177.150 176.600 -0.201 0.000 0.998 248 E CA 1.131 57.474 56.400 -0.095 0.000 0.818 248 E CB -0.070 29.615 29.700 -0.025 0.000 0.741 248 E HN 0.562 nan 8.360 nan 0.000 0.477 249 N N -0.398 118.146 118.700 -0.259 0.000 2.200 249 N HA 0.017 6.634 4.740 3.128 0.000 0.224 249 N C -0.608 174.523 175.510 -0.632 0.000 1.179 249 N CA 0.080 52.906 53.050 -0.373 0.000 0.877 249 N CB 0.942 39.443 38.487 0.022 0.000 1.072 249 N HN -0.076 nan 8.380 nan 0.000 0.519 250 K N -0.182 119.867 120.400 -0.584 0.000 3.160 250 K HA -0.111 6.086 4.320 3.128 0.000 0.280 250 K C -0.517 176.037 176.600 -0.076 0.000 1.154 250 K CA 0.292 56.332 56.287 -0.411 0.000 0.822 250 K CB -2.368 29.710 32.500 -0.704 0.000 1.239 250 K HN 0.028 nan 8.250 nan 0.000 0.489 251 V N 1.574 121.494 119.914 0.009 0.000 2.481 251 V HA 0.189 6.186 4.120 3.128 0.000 0.286 251 V C 0.636 176.817 176.094 0.146 0.000 1.042 251 V CA -0.713 61.675 62.300 0.146 0.000 0.928 251 V CB 1.728 33.699 31.823 0.247 0.000 0.986 251 V HN 0.067 nan 8.190 nan 0.000 0.462 252 D N 3.906 124.397 120.400 0.151 0.000 2.336 252 D HA 0.149 6.666 4.640 3.128 0.000 0.249 252 D C -0.344 176.091 176.300 0.225 0.000 1.213 252 D CA 0.065 54.158 54.000 0.156 0.000 0.870 252 D CB 1.100 41.966 40.800 0.110 0.000 1.076 252 D HN 0.437 nan 8.370 nan 0.000 0.483 253 F N 3.424 123.444 119.950 0.116 0.000 2.471 253 F HA 0.137 6.536 4.527 3.120 0.000 0.365 253 F C -0.379 175.445 175.800 0.039 0.000 1.095 253 F CA -0.439 57.650 58.000 0.148 0.000 1.174 253 F CB 0.549 39.636 39.000 0.146 0.000 1.105 253 F HN -0.006 nan 8.300 nan 0.000 0.535 254 V N 8.425 128.080 119.914 -0.431 0.000 2.370 254 V HA 0.162 6.159 4.120 3.128 0.000 0.283 254 V C -0.461 175.320 176.094 -0.522 0.000 1.023 254 V CA -0.775 61.321 62.300 -0.339 0.000 0.857 254 V CB 0.973 32.683 31.823 -0.189 0.000 0.985 254 V HN 0.627 nan 8.190 nan 0.000 0.443 255 F N 4.542 124.233 119.950 -0.432 0.000 2.413 255 F HA 0.700 7.100 4.527 3.123 0.000 0.359 255 F C 0.836 176.576 175.800 -0.101 0.000 1.122 255 F CA -0.566 57.315 58.000 -0.198 0.000 1.160 255 F CB 0.589 39.620 39.000 0.052 0.000 1.146 255 F HN 0.558 nan 8.300 nan 0.000 0.514 256 G N 6.217 114.579 108.800 -0.730 0.000 2.420 256 G HA2 0.503 6.340 3.960 3.128 0.000 0.284 256 G HA3 0.503 6.340 3.960 3.128 0.000 0.284 256 G C -1.628 172.876 174.900 -0.659 0.000 1.177 256 G CA -0.529 44.169 45.100 -0.671 0.000 0.841 256 G HN 0.773 nan 8.290 nan 0.000 0.527 257 I N -0.017 120.225 120.570 -0.547 0.000 2.569 257 I HA 0.535 6.582 4.170 3.128 0.000 0.290 257 I C -0.513 175.190 176.117 -0.690 0.000 1.088 257 I CA -0.406 60.572 61.300 -0.538 0.000 1.047 257 I CB 2.430 40.212 38.000 -0.363 0.000 1.237 257 I HN 0.282 nan 8.210 nan 0.000 0.421 258 S N 8.926 124.112 115.700 -0.857 0.000 2.532 258 S HA 0.428 6.775 4.470 3.128 0.000 0.256 258 S C -2.205 171.933 174.600 -0.769 0.000 1.298 258 S CA -0.781 56.978 58.200 -0.734 0.000 1.166 258 S CB 0.981 63.842 63.200 -0.564 0.000 1.022 258 S HN 0.623 nan 8.310 nan 0.000 0.480 259 P HA 0.181 nan 4.420 nan 0.000 0.261 259 P C 1.280 178.157 177.300 -0.706 0.000 1.268 259 P CA 0.066 62.214 63.100 -1.586 0.000 0.833 259 P CB 0.051 30.484 31.700 -2.112 0.000 1.231 260 G N 0.377 108.953 108.800 -0.372 0.000 2.625 260 G HA2 -0.166 5.671 3.960 3.128 0.000 0.214 260 G HA3 -0.166 5.671 3.960 3.128 0.000 0.214 260 G C 1.287 176.255 174.900 0.115 0.000 1.132 260 G CA 0.035 45.177 45.100 0.071 0.000 0.782 260 G HN 0.187 nan 8.290 nan 0.000 0.538 261 I N 1.386 121.986 120.570 0.051 0.000 2.202 261 I HA -0.066 5.981 4.170 3.128 0.000 0.242 261 I C 1.767 177.964 176.117 0.134 0.000 1.091 261 I CA 1.888 63.250 61.300 0.103 0.000 1.368 261 I CB 0.290 38.348 38.000 0.098 0.000 1.058 261 I HN 0.325 nan 8.210 nan 0.000 0.410 262 D N -1.516 118.992 120.400 0.180 0.000 2.530 262 D HA 0.080 6.597 4.640 3.128 0.000 0.253 262 D C 0.543 176.945 176.300 0.170 0.000 1.338 262 D CA -0.346 53.753 54.000 0.165 0.000 0.806 262 D CB -1.019 39.869 40.800 0.147 0.000 1.160 262 D HN 0.227 nan 8.370 nan 0.000 0.514 263 I N 1.431 122.086 120.570 0.141 0.000 2.710 263 I HA 0.102 6.149 4.170 3.128 0.000 0.286 263 I C -0.076 175.839 176.117 -0.336 0.000 1.181 263 I CA -0.012 61.303 61.300 0.026 0.000 1.430 263 I CB 0.336 38.219 38.000 -0.195 0.000 1.367 263 I HN -0.164 nan 8.210 nan 0.000 0.577 264 R N 5.918 126.299 120.500 -0.198 0.000 2.486 264 R HA 0.394 6.611 4.340 3.128 0.000 0.286 264 R C -0.460 175.682 176.300 -0.263 0.000 0.999 264 R CA -0.373 55.594 56.100 -0.220 0.000 0.993 264 R CB 1.075 31.377 30.300 0.003 0.000 1.084 264 R HN 0.589 nan 8.270 nan 0.000 0.487 265 F N -0.937 119.107 119.950 0.157 0.000 2.592 265 F HA 0.207 6.611 4.527 3.127 0.000 0.280 265 F C 0.420 176.277 175.800 0.094 0.000 1.083 265 F CA -0.021 58.059 58.000 0.134 0.000 1.365 265 F CB 0.410 39.473 39.000 0.105 0.000 1.100 265 F HN 0.349 nan 8.300 nan 0.000 0.633 266 D N -0.268 120.287 120.400 0.257 0.000 2.332 266 D HA 0.448 6.965 4.640 3.128 0.000 0.252 266 D C 0.868 177.235 176.300 0.111 0.000 1.050 266 D CA 0.698 54.792 54.000 0.156 0.000 0.970 266 D CB 0.990 41.863 40.800 0.122 0.000 1.141 266 D HN 0.255 nan 8.370 nan 0.000 0.485 267 G N 1.048 109.896 108.800 0.080 0.000 2.591 267 G HA2 -0.325 5.512 3.960 3.128 0.000 0.278 267 G HA3 -0.325 5.512 3.960 3.128 0.000 0.278 267 G C 0.648 175.587 174.900 0.066 0.000 1.293 267 G CA 0.402 45.539 45.100 0.061 0.000 0.930 267 G HN 0.510 nan 8.290 nan 0.000 0.562 268 D N 0.005 120.437 120.400 0.053 0.000 2.158 268 D HA -0.043 6.474 4.640 3.128 0.000 0.197 268 D C 2.764 179.102 176.300 0.062 0.000 0.995 268 D CA 2.423 56.453 54.000 0.051 0.000 0.846 268 D CB -0.705 40.118 40.800 0.038 0.000 0.941 268 D HN 0.837 nan 8.370 nan 0.000 0.456 269 A N 0.592 123.452 122.820 0.067 0.000 1.930 269 A HA 0.046 6.243 4.320 3.128 0.000 0.217 269 A C 2.379 180.027 177.584 0.106 0.000 1.175 269 A CA 1.855 53.938 52.037 0.077 0.000 0.627 269 A CB -0.925 18.116 19.000 0.068 0.000 0.815 269 A HN 0.297 nan 8.150 nan 0.000 0.443 270 G N -0.407 108.464 108.800 0.118 0.000 2.421 270 G HA2 -0.241 5.596 3.960 3.128 0.000 0.216 270 G HA3 -0.241 5.596 3.960 3.128 0.000 0.216 270 G C 1.459 176.474 174.900 0.192 0.000 1.171 270 G CA 1.318 46.515 45.100 0.161 0.000 0.775 270 G HN 0.489 nan 8.290 nan 0.000 0.543 271 E N 0.380 120.665 120.200 0.143 0.000 2.038 271 E HA -0.105 6.122 4.350 3.128 0.000 0.195 271 E C 2.326 179.013 176.600 0.144 0.000 1.000 271 E CA 1.346 57.834 56.400 0.146 0.000 0.803 271 E CB -0.346 29.406 29.700 0.087 0.000 0.750 271 E HN 0.623 nan 8.360 nan 0.000 0.448 272 E N -0.159 120.089 120.200 0.080 0.000 2.085 272 E HA -0.230 5.997 4.350 3.128 0.000 0.194 272 E C 1.290 177.890 176.600 -0.001 0.000 0.994 272 E CA 1.591 57.985 56.400 -0.010 0.000 0.801 272 E CB -0.029 29.674 29.700 0.004 0.000 0.743 272 E HN 0.197 nan 8.360 nan 0.000 0.453 273 D N -0.490 120.022 120.400 0.186 0.000 2.149 273 D HA -0.117 6.400 4.640 3.128 0.000 0.201 273 D C 1.520 178.062 176.300 0.402 0.000 0.972 273 D CA 0.563 54.786 54.000 0.373 0.000 0.835 273 D CB -0.314 40.716 40.800 0.382 0.000 0.966 273 D HN 0.197 nan 8.370 nan 0.000 0.476 274 F N 1.825 121.896 119.950 0.202 0.000 2.102 274 F HA -0.164 6.241 4.527 3.130 0.000 0.298 274 F C 1.864 177.767 175.800 0.172 0.000 1.105 274 F CA 1.163 59.279 58.000 0.194 0.000 1.239 274 F CB -0.187 38.910 39.000 0.162 0.000 0.991 274 F HN -0.128 nan 8.300 nan 0.000 0.474 275 N N -0.272 118.497 118.700 0.115 0.000 2.205 275 N HA -0.204 6.413 4.740 3.128 0.000 0.186 275 N C 1.773 177.244 175.510 -0.064 0.000 1.015 275 N CA 1.348 54.382 53.050 -0.027 0.000 0.862 275 N CB -0.762 37.717 38.487 -0.013 0.000 0.986 275 N HN 0.429 nan 8.380 nan 0.000 0.429 276 H N 0.836 119.939 119.070 0.056 0.000 2.387 276 H HA 0.015 6.448 4.556 3.128 0.000 0.299 276 H C 2.235 177.643 175.328 0.132 0.000 1.090 276 H CA 0.644 56.734 56.048 0.071 0.000 1.332 276 H CB -0.226 29.549 29.762 0.021 0.000 1.386 276 H HN 0.213 nan 8.280 nan 0.000 0.516 277 L N -0.186 121.165 121.223 0.212 0.000 2.056 277 L HA -0.149 6.068 4.340 3.128 0.000 0.207 277 L C 2.383 179.205 176.870 -0.080 0.000 1.078 277 L CA 0.459 55.320 54.840 0.035 0.000 0.749 277 L CB -0.202 41.741 42.059 -0.194 0.000 0.901 277 L HN 0.179 nan 8.230 nan 0.000 0.433 278 I N -0.243 120.191 120.570 -0.227 0.000 2.142 278 I HA -0.249 5.798 4.170 3.128 0.000 0.240 278 I C 2.572 178.648 176.117 -0.068 0.000 1.078 278 I CA 1.673 62.848 61.300 -0.207 0.000 1.343 278 I CB -1.429 36.470 38.000 -0.169 0.000 1.046 278 I HN 0.243 nan 8.210 nan 0.000 0.405 279 T N 0.746 115.306 114.554 0.009 0.000 2.652 279 T HA -0.235 5.992 4.350 3.128 0.000 0.267 279 T C 1.974 176.729 174.700 0.091 0.000 1.039 279 T CA 1.953 64.093 62.100 0.067 0.000 1.153 279 T CB -0.148 68.776 68.868 0.093 0.000 0.863 279 T HN 0.082 nan 8.240 nan 0.000 0.428 280 K N 1.640 122.114 120.400 0.123 0.000 2.009 280 K HA 0.019 6.216 4.320 3.128 0.000 0.210 280 K C 2.268 178.962 176.600 0.157 0.000 1.049 280 K CA 1.662 58.054 56.287 0.175 0.000 0.929 280 K CB -0.881 31.781 32.500 0.271 0.000 0.714 280 K HN 0.265 nan 8.250 nan 0.000 0.440 281 A N 0.332 123.204 122.820 0.086 0.000 1.972 281 A HA -0.182 6.015 4.320 3.128 0.000 0.219 281 A C 2.105 179.754 177.584 0.108 0.000 1.169 281 A CA 2.047 54.083 52.037 -0.001 0.000 0.635 281 A CB -0.652 17.964 19.000 -0.640 0.000 0.810 281 A HN 0.545 nan 8.150 nan 0.000 0.446 282 E N 0.770 121.047 120.200 0.129 0.000 2.150 282 E HA -0.145 6.082 4.350 3.128 0.000 0.193 282 E C 2.051 178.820 176.600 0.281 0.000 0.985 282 E CA 1.725 58.323 56.400 0.331 0.000 0.814 282 E CB -0.340 29.503 29.700 0.240 0.000 0.752 282 E HN 0.644 nan 8.360 nan 0.000 0.466 283 S N -0.565 115.234 115.700 0.166 0.000 2.423 283 S HA -0.104 6.243 4.470 3.128 0.000 0.231 283 S C 1.864 176.504 174.600 0.066 0.000 1.014 283 S CA 0.959 59.220 58.200 0.103 0.000 0.965 283 S CB -0.267 62.974 63.200 0.069 0.000 0.785 283 S HN 0.315 nan 8.310 nan 0.000 0.495 284 L N -0.797 120.475 121.223 0.081 0.000 2.249 284 L HA 0.264 6.481 4.340 3.128 0.000 0.207 284 L C 2.358 179.351 176.870 0.205 0.000 1.090 284 L CA 0.712 55.552 54.840 0.000 0.000 0.802 284 L CB -0.503 41.400 42.059 -0.260 0.000 0.947 284 L HN 0.314 nan 8.230 nan 0.000 0.453 285 Y N 0.928 121.431 120.300 0.338 0.000 2.224 285 Y HA -0.267 6.161 4.550 3.129 0.000 0.289 285 Y C 2.000 177.999 175.900 0.166 0.000 1.146 285 Y CA 1.666 59.993 58.100 0.378 0.000 1.182 285 Y CB 0.006 38.745 38.460 0.466 0.000 0.983 285 Y HN 0.232 nan 8.280 nan 0.000 0.524 286 D N -0.299 120.257 120.400 0.261 0.000 2.348 286 D HA -0.107 6.410 4.640 3.128 0.000 0.216 286 D C 1.561 177.862 176.300 0.002 0.000 0.970 286 D CA 1.151 55.227 54.000 0.126 0.000 0.889 286 D CB -0.142 40.737 40.800 0.132 0.000 0.912 286 D HN 0.490 nan 8.370 nan 0.000 0.524 287 M N -1.093 118.487 119.600 -0.033 0.000 2.428 287 M HA 0.196 6.553 4.480 3.128 0.000 0.239 287 M C 0.898 177.117 176.300 -0.135 0.000 1.121 287 M CA 0.251 55.494 55.300 -0.095 0.000 1.019 287 M CB 1.089 33.609 32.600 -0.133 0.000 1.485 287 M HN 0.086 nan 8.290 nan 0.000 0.484 288 G N 0.701 109.405 108.800 -0.160 0.000 2.148 288 G HA2 -0.166 5.671 3.960 3.128 0.000 0.203 288 G HA3 -0.166 5.671 3.960 3.128 0.000 0.203 288 G C -0.062 174.742 174.900 -0.160 0.000 0.993 288 G CA -0.523 44.456 45.100 -0.201 0.000 0.661 288 G HN 0.244 nan 8.290 nan 0.000 0.518 289 V N 1.300 121.159 119.914 -0.093 0.000 2.585 289 V HA 0.404 6.402 4.120 3.128 0.000 0.296 289 V C 1.323 177.460 176.094 0.072 0.000 1.035 289 V CA 0.189 62.481 62.300 -0.013 0.000 1.084 289 V CB 1.313 33.120 31.823 -0.026 0.000 0.953 289 V HN 0.313 nan 8.190 nan 0.000 0.483 290 R N 1.859 122.399 120.500 0.067 0.000 2.531 290 R HA 0.318 6.535 4.340 3.128 0.000 0.316 290 R C -0.095 176.357 176.300 0.254 0.000 0.955 290 R CA -0.055 56.189 56.100 0.239 0.000 1.120 290 R CB 1.008 31.396 30.300 0.146 0.000 1.361 290 R HN 0.615 nan 8.270 nan 0.000 0.534 291 S N 0.465 116.164 115.700 -0.002 0.000 2.521 291 S HA 0.706 7.053 4.470 3.128 0.000 0.295 291 S C -1.123 173.297 174.600 -0.300 0.000 1.098 291 S CA -0.404 57.827 58.200 0.051 0.000 0.999 291 S CB 1.612 64.867 63.200 0.092 0.000 1.034 291 S HN 0.017 nan 8.310 nan 0.000 0.483 292 F N 1.159 121.270 119.950 0.269 0.000 2.556 292 F HA 0.733 7.144 4.527 3.140 0.000 0.314 292 F C 0.105 175.890 175.800 -0.026 0.000 1.106 292 F CA -0.733 57.380 58.000 0.188 0.000 0.911 292 F CB 1.801 41.017 39.000 0.360 0.000 1.190 292 F HN 0.641 nan 8.300 nan 0.000 0.448 293 A N 3.883 126.632 122.820 -0.119 0.000 2.343 293 A HA 0.886 7.083 4.320 3.128 0.000 0.316 293 A C -1.105 176.076 177.584 -0.672 0.000 1.104 293 A CA -0.576 51.193 52.037 -0.447 0.000 0.768 293 A CB 0.820 19.363 19.000 -0.762 0.000 1.213 293 A HN 0.722 nan 8.150 nan 0.000 0.456 294 I N 2.380 122.584 120.570 -0.611 0.000 2.389 294 I HA 0.342 6.389 4.170 3.128 0.000 0.288 294 I C -1.087 174.651 176.117 -0.633 0.000 0.999 294 I CA -0.264 60.618 61.300 -0.697 0.000 1.129 294 I CB 1.241 38.863 38.000 -0.631 0.000 1.288 294 I HN 0.678 nan 8.210 nan 0.000 0.444 295 Y N 3.879 123.742 120.300 -0.728 0.000 2.409 295 Y HA 0.235 6.656 4.550 3.118 0.000 0.339 295 Y C -0.242 175.174 175.900 -0.807 0.000 1.033 295 Y CA -0.734 57.020 58.100 -0.577 0.000 1.094 295 Y CB 2.233 40.517 38.460 -0.293 0.000 1.210 295 Y HN 0.642 nan 8.280 nan 0.000 0.456 296 W N 0.831 122.150 121.300 0.031 0.000 2.499 296 W HA 0.080 6.620 4.660 3.133 0.000 0.362 296 W C -0.118 176.352 176.519 -0.081 0.000 0.945 296 W CA -0.543 56.757 57.345 -0.074 0.000 1.721 296 W CB 0.512 29.941 29.460 -0.052 0.000 1.156 296 W HN 0.420 nan 8.180 nan 0.000 0.547 297 D N 0.303 120.685 120.400 -0.031 0.000 2.362 297 D HA 0.014 6.531 4.640 3.128 0.000 0.242 297 D C 0.228 176.505 176.300 -0.037 0.000 1.132 297 D CA 0.338 54.258 54.000 -0.133 0.000 0.907 297 D CB 1.011 41.357 40.800 -0.756 0.000 1.195 297 D HN -0.056 nan 8.370 nan 0.000 0.429 298 D N -0.842 119.602 120.400 0.075 0.000 2.907 298 D HA -0.156 6.361 4.640 3.128 0.000 0.226 298 D C -0.096 176.238 176.300 0.058 0.000 1.141 298 D CA 0.817 54.855 54.000 0.062 0.000 0.779 298 D CB -1.652 39.200 40.800 0.085 0.000 1.095 298 D HN 0.650 nan 8.370 nan 0.000 0.430 299 I N -4.154 116.454 120.570 0.064 0.000 2.957 299 I HA 0.502 6.549 4.170 3.128 0.000 0.310 299 I C 1.154 177.308 176.117 0.060 0.000 1.063 299 I CA -1.016 60.333 61.300 0.082 0.000 1.033 299 I CB 1.660 39.743 38.000 0.139 0.000 1.230 299 I HN -0.356 nan 8.210 nan 0.000 0.447 300 Q N 1.220 121.063 119.800 0.072 0.000 2.062 300 Q HA 0.009 6.226 4.340 3.128 0.000 0.196 300 Q C 0.000 176.047 176.000 0.078 0.000 0.967 300 Q CA 1.049 56.883 55.803 0.051 0.000 0.832 300 Q CB -0.377 28.392 28.738 0.051 0.000 0.899 300 Q HN 0.807 nan 8.270 nan 0.000 0.442 301 D N 1.180 121.673 120.400 0.155 0.000 2.401 301 D HA -0.003 6.514 4.640 3.128 0.000 0.254 301 D C -0.463 175.970 176.300 0.221 0.000 1.192 301 D CA 0.309 54.436 54.000 0.212 0.000 0.885 301 D CB 0.511 41.515 40.800 0.340 0.000 1.147 301 D HN -0.079 nan 8.370 nan 0.000 0.478 302 K N 2.489 122.948 120.400 0.099 0.000 3.174 302 K HA 0.171 6.368 4.320 3.128 0.000 0.207 302 K C -0.603 176.012 176.600 0.025 0.000 1.190 302 K CA -0.352 55.981 56.287 0.077 0.000 1.054 302 K CB 0.664 33.171 32.500 0.011 0.000 1.154 302 K HN 0.245 nan 8.250 nan 0.000 0.495 303 S N 1.614 117.156 115.700 -0.263 0.000 3.729 303 S HA 0.136 6.483 4.470 3.128 0.000 0.235 303 S C 1.273 175.366 174.600 -0.845 0.000 1.367 303 S CA -0.372 57.560 58.200 -0.445 0.000 0.907 303 S CB 0.713 63.680 63.200 -0.389 0.000 1.471 303 S HN 0.519 nan 8.310 nan 0.000 0.476 304 A N 3.131 125.529 122.820 -0.703 0.000 1.892 304 A HA -0.111 6.086 4.320 3.128 0.000 0.218 304 A C 2.318 179.539 177.584 -0.606 0.000 1.188 304 A CA 1.896 53.360 52.037 -0.955 0.000 0.631 304 A CB -0.962 17.412 19.000 -1.043 0.000 0.822 304 A HN 0.765 nan 8.150 nan 0.000 0.447 305 A N -0.802 121.731 122.820 -0.479 0.000 1.930 305 A HA -0.121 6.076 4.320 3.128 0.000 0.217 305 A C 2.122 179.468 177.584 -0.396 0.000 1.175 305 A CA 1.819 53.630 52.037 -0.377 0.000 0.627 305 A CB -0.357 18.475 19.000 -0.280 0.000 0.815 305 A HN 0.560 nan 8.150 nan 0.000 0.443 306 K N -1.125 118.959 120.400 -0.527 0.000 2.062 306 K HA -0.077 6.120 4.320 3.128 0.000 0.205 306 K C 1.862 178.139 176.600 -0.538 0.000 1.051 306 K CA 1.335 57.231 56.287 -0.652 0.000 0.941 306 K CB -0.341 31.420 32.500 -1.231 0.000 0.719 306 K HN 0.736 nan 8.250 nan 0.000 0.440 307 H N -0.058 118.539 119.070 -0.787 0.000 2.265 307 H HA -0.174 6.260 4.556 3.130 0.000 0.295 307 H C 2.161 177.225 175.328 -0.439 0.000 1.084 307 H CA 0.959 56.436 56.048 -0.953 0.000 1.261 307 H CB -0.058 29.058 29.762 -1.077 0.000 1.360 307 H HN 0.278 nan 8.280 nan 0.000 0.487 308 A N 1.386 123.983 122.820 -0.371 0.000 1.933 308 A HA -0.217 5.980 4.320 3.128 0.000 0.218 308 A C 2.301 179.773 177.584 -0.187 0.000 1.175 308 A CA 1.847 53.600 52.037 -0.473 0.000 0.628 308 A CB -0.426 18.151 19.000 -0.704 0.000 0.814 308 A HN 0.651 nan 8.150 nan 0.000 0.444 309 Q N -0.845 118.867 119.800 -0.147 0.000 2.398 309 Q HA 0.077 6.294 4.340 3.128 0.000 0.204 309 Q C 1.661 177.693 176.000 0.054 0.000 0.932 309 Q CA 1.079 56.845 55.803 -0.062 0.000 0.916 309 Q CB -0.397 28.282 28.738 -0.099 0.000 1.024 309 Q HN 0.337 nan 8.270 nan 0.000 0.504 310 V N 1.840 121.855 119.914 0.169 0.000 2.358 310 V HA -0.236 5.761 4.120 3.128 0.000 0.246 310 V C 2.290 178.635 176.094 0.418 0.000 1.047 310 V CA 1.469 64.001 62.300 0.388 0.000 1.035 310 V CB -0.462 31.734 31.823 0.622 0.000 0.658 310 V HN 0.338 nan 8.190 nan 0.000 0.452 311 L N 0.168 121.595 121.223 0.340 0.000 2.083 311 L HA -0.168 6.049 4.340 3.128 0.000 0.209 311 L C 2.408 179.442 176.870 0.275 0.000 1.083 311 L CA 1.470 56.498 54.840 0.313 0.000 0.752 311 L CB -0.673 41.540 42.059 0.256 0.000 0.899 311 L HN 0.408 nan 8.230 nan 0.000 0.433 312 N N -0.330 118.467 118.700 0.161 0.000 2.171 312 N HA -0.124 6.493 4.740 3.128 0.000 0.184 312 N C 1.886 177.481 175.510 0.143 0.000 1.021 312 N CA 0.806 53.927 53.050 0.118 0.000 0.854 312 N CB -0.251 38.251 38.487 0.026 0.000 0.994 312 N HN 0.187 nan 8.380 nan 0.000 0.426 313 R N -0.148 120.426 120.500 0.123 0.000 2.096 313 R HA -0.056 6.161 4.340 3.128 0.000 0.235 313 R C 1.908 178.411 176.300 0.338 0.000 1.127 313 R CA 0.739 56.869 56.100 0.051 0.000 0.968 313 R CB -0.394 29.700 30.300 -0.345 0.000 0.861 313 R HN 0.213 nan 8.270 nan 0.000 0.440 314 F N 1.586 121.781 119.950 0.408 0.000 2.146 314 F HA -0.194 6.210 4.527 3.128 0.000 0.298 314 F C 2.101 178.062 175.800 0.268 0.000 1.096 314 F CA 1.711 59.951 58.000 0.399 0.000 1.275 314 F CB -0.352 38.800 39.000 0.254 0.000 1.008 314 F HN 0.035 nan 8.300 nan 0.000 0.480 315 N N 0.525 119.466 118.700 0.402 0.000 2.069 315 N HA -0.252 6.365 4.740 3.128 0.000 0.191 315 N C 1.825 177.409 175.510 0.124 0.000 1.031 315 N CA 1.788 54.991 53.050 0.256 0.000 0.852 315 N CB -0.300 38.323 38.487 0.226 0.000 1.018 315 N HN 0.437 nan 8.380 nan 0.000 0.423 316 E N 0.454 120.720 120.200 0.110 0.000 2.028 316 E HA -0.064 6.163 4.350 3.128 0.000 0.190 316 E C 1.495 178.111 176.600 0.026 0.000 0.984 316 E CA 1.426 57.859 56.400 0.055 0.000 0.800 316 E CB -0.131 29.595 29.700 0.043 0.000 0.758 316 E HN 0.475 nan 8.360 nan 0.000 0.448 317 E N -1.541 118.696 120.200 0.062 0.000 2.318 317 E HA -0.005 6.222 4.350 3.128 0.000 0.193 317 E C 1.175 177.752 176.600 -0.037 0.000 0.998 317 E CA 0.268 56.698 56.400 0.050 0.000 0.859 317 E CB 0.135 29.940 29.700 0.176 0.000 0.812 317 E HN 0.255 nan 8.360 nan 0.000 0.492 318 F N -0.196 119.541 119.950 -0.356 0.000 2.539 318 F HA 0.006 6.409 4.527 3.127 0.000 0.277 318 F C 1.950 177.500 175.800 -0.417 0.000 0.925 318 F CA 0.264 57.913 58.000 -0.586 0.000 1.193 318 F CB -0.227 37.996 39.000 -1.296 0.000 1.128 318 F HN -0.272 nan 8.300 nan 0.000 0.740 319 V N 1.542 121.361 119.914 -0.158 0.000 2.233 319 V HA -0.330 5.667 4.120 3.128 0.000 0.247 319 V C 2.201 178.262 176.094 -0.055 0.000 1.050 319 V CA 2.457 64.748 62.300 -0.015 0.000 1.010 319 V CB -0.851 31.077 31.823 0.176 0.000 0.637 319 V HN 0.263 nan 8.190 nan 0.000 0.444 320 K N 0.201 120.582 120.400 -0.031 0.000 2.103 320 K HA -0.019 6.178 4.320 3.128 0.000 0.204 320 K C 2.292 178.850 176.600 -0.071 0.000 1.052 320 K CA 1.317 57.591 56.287 -0.022 0.000 0.945 320 K CB -0.369 32.133 32.500 0.005 0.000 0.722 320 K HN 0.470 nan 8.250 nan 0.000 0.443 321 A N 1.802 124.546 122.820 -0.128 0.000 1.898 321 A HA -0.150 6.047 4.320 3.128 0.000 0.216 321 A C 1.937 179.396 177.584 -0.209 0.000 1.181 321 A CA 1.385 53.331 52.037 -0.153 0.000 0.620 321 A CB -0.204 18.696 19.000 -0.166 0.000 0.819 321 A HN 0.135 nan 8.150 nan 0.000 0.442 322 K N -1.866 118.331 120.400 -0.338 0.000 2.148 322 K HA 0.084 6.281 4.320 3.128 0.000 0.204 322 K C 1.480 178.012 176.600 -0.112 0.000 1.050 322 K CA 0.889 56.972 56.287 -0.341 0.000 0.942 322 K CB -0.181 31.905 32.500 -0.689 0.000 0.724 322 K HN 0.667 nan 8.250 nan 0.000 0.446 323 G N 1.377 110.138 108.800 -0.064 0.000 2.363 323 G HA2 -0.294 5.543 3.960 3.128 0.000 0.238 323 G HA3 -0.294 5.543 3.960 3.128 0.000 0.238 323 G C 0.376 175.308 174.900 0.052 0.000 1.062 323 G CA 0.678 45.780 45.100 0.002 0.000 0.629 323 G HN 0.513 nan 8.290 nan 0.000 0.514 324 D N 0.518 120.973 120.400 0.092 0.000 2.559 324 D HA 0.426 6.943 4.640 3.128 0.000 0.234 324 D C 0.328 176.742 176.300 0.189 0.000 1.226 324 D CA -0.156 53.920 54.000 0.127 0.000 0.830 324 D CB 0.261 41.132 40.800 0.119 0.000 1.028 324 D HN 0.368 nan 8.370 nan 0.000 0.492 325 V N 1.022 121.060 119.914 0.207 0.000 2.483 325 V HA 0.226 6.223 4.120 3.128 0.000 0.295 325 V C 0.632 176.889 176.094 0.271 0.000 1.035 325 V CA -0.963 61.524 62.300 0.311 0.000 0.896 325 V CB 2.012 34.072 31.823 0.396 0.000 0.986 325 V HN 0.002 nan 8.190 nan 0.000 0.447 326 K N 3.684 124.259 120.400 0.292 0.000 2.180 326 K HA 0.309 6.506 4.320 3.128 0.000 0.251 326 K C -2.413 174.354 176.600 0.279 0.000 1.014 326 K CA -1.597 54.840 56.287 0.251 0.000 0.913 326 K CB -0.030 32.613 32.500 0.238 0.000 1.008 326 K HN 0.357 nan 8.250 nan 0.000 0.490 327 P HA -0.065 nan 4.420 nan 0.000 0.261 327 P C -0.008 177.453 177.300 0.269 0.000 1.173 327 P CA 0.130 63.374 63.100 0.239 0.000 0.760 327 P CB 0.339 32.167 31.700 0.212 0.000 0.783 328 L N 4.582 125.975 121.223 0.283 0.000 2.540 328 L HA 0.114 6.331 4.340 3.128 0.000 0.276 328 L C 0.011 176.988 176.870 0.179 0.000 1.212 328 L CA 0.403 55.417 54.840 0.289 0.000 0.893 328 L CB -0.004 42.252 42.059 0.328 0.000 1.138 328 L HN 0.330 nan 8.230 nan 0.000 0.491 329 I N 3.988 124.627 120.570 0.114 0.000 2.460 329 I HA 0.384 6.431 4.170 3.128 0.000 0.298 329 I C 0.142 176.295 176.117 0.059 0.000 0.989 329 I CA -0.162 61.156 61.300 0.030 0.000 1.173 329 I CB 2.035 40.007 38.000 -0.047 0.000 1.338 329 I HN 0.527 nan 8.210 nan 0.000 0.456 330 T N 4.209 118.870 114.554 0.178 0.000 2.843 330 T HA 0.634 6.861 4.350 3.128 0.000 0.302 330 T C -1.842 173.092 174.700 0.390 0.000 1.232 330 T CA -0.496 61.805 62.100 0.336 0.000 1.009 330 T CB 2.034 71.168 68.868 0.444 0.000 1.254 330 T HN 0.326 nan 8.240 nan 0.000 0.504 331 V N 4.233 124.391 119.914 0.406 0.000 2.623 331 V HA 0.716 6.713 4.120 3.128 0.000 0.304 331 V C -2.641 173.569 176.094 0.195 0.000 1.054 331 V CA -2.233 60.145 62.300 0.130 0.000 0.882 331 V CB 2.404 34.070 31.823 -0.260 0.000 1.002 331 V HN 0.750 nan 8.190 nan 0.000 0.424 332 P HA 0.379 nan 4.420 nan 0.000 0.277 332 P C 0.704 178.060 177.300 0.092 0.000 1.271 332 P CA -0.105 62.933 63.100 -0.104 0.000 0.795 332 P CB 0.696 32.057 31.700 -0.566 0.000 1.101 333 T N -1.794 112.755 114.554 -0.008 0.000 2.867 333 T HA -0.068 6.159 4.350 3.128 0.000 0.268 333 T C 0.284 174.776 174.700 -0.347 0.000 1.057 333 T CA 1.285 63.284 62.100 -0.168 0.000 1.136 333 T CB -0.443 68.220 68.868 -0.343 0.000 0.874 333 T HN 0.466 nan 8.240 nan 0.000 0.466 334 E N 1.172 121.075 120.200 -0.494 0.000 2.089 334 E HA 0.250 6.477 4.350 3.128 0.000 0.284 334 E C -0.354 176.165 176.600 -0.136 0.000 1.023 334 E CA -0.367 55.828 56.400 -0.342 0.000 0.819 334 E CB 0.463 30.036 29.700 -0.211 0.000 1.076 334 E HN 0.698 nan 8.360 nan 0.000 0.396 335 Y N 0.692 120.933 120.300 -0.099 0.000 2.610 335 Y HA 0.266 6.697 4.550 3.135 0.000 0.254 335 Y C -0.384 175.556 175.900 0.067 0.000 1.110 335 Y CA -0.924 57.154 58.100 -0.037 0.000 1.238 335 Y CB 0.279 38.629 38.460 -0.184 0.000 1.322 335 Y HN 0.327 nan 8.280 nan 0.000 0.547 336 D N -1.369 118.978 120.400 -0.087 0.000 2.477 336 D HA 0.332 6.849 4.640 3.128 0.000 0.234 336 D C 0.455 176.827 176.300 0.119 0.000 1.048 336 D CA -0.605 53.457 54.000 0.103 0.000 0.959 336 D CB 2.002 42.776 40.800 -0.044 0.000 1.408 336 D HN -0.095 nan 8.370 nan 0.000 0.496 337 T N 0.170 114.858 114.554 0.222 0.000 2.746 337 T HA -0.011 6.216 4.350 3.128 0.000 0.267 337 T C 1.945 176.676 174.700 0.052 0.000 1.039 337 T CA 1.326 63.523 62.100 0.160 0.000 1.142 337 T CB -0.668 68.321 68.868 0.203 0.000 0.866 337 T HN 0.661 nan 8.240 nan 0.000 0.444 338 G N 1.284 110.097 108.800 0.022 0.000 2.446 338 G HA2 -0.113 5.724 3.960 3.128 0.000 0.217 338 G HA3 -0.113 5.724 3.960 3.128 0.000 0.217 338 G C 1.794 176.655 174.900 -0.064 0.000 1.168 338 G CA 0.931 46.019 45.100 -0.021 0.000 0.771 338 G HN 0.597 nan 8.290 nan 0.000 0.551 339 A N -0.036 122.713 122.820 -0.118 0.000 1.968 339 A HA 0.251 6.448 4.320 3.128 0.000 0.217 339 A C 2.367 179.881 177.584 -0.117 0.000 1.169 339 A CA 1.501 53.434 52.037 -0.174 0.000 0.638 339 A CB -0.181 18.621 19.000 -0.330 0.000 0.812 339 A HN 0.396 nan 8.150 nan 0.000 0.446 340 M N -1.203 118.362 119.600 -0.057 0.000 2.501 340 M HA 0.142 6.499 4.480 3.128 0.000 0.261 340 M C -0.489 175.808 176.300 -0.004 0.000 1.129 340 M CA 0.568 55.864 55.300 -0.006 0.000 1.126 340 M CB 0.714 33.345 32.600 0.051 0.000 1.359 340 M HN 0.055 nan 8.290 nan 0.000 0.471 341 V N -0.616 119.291 119.914 -0.011 0.000 2.789 341 V HA 0.558 6.555 4.120 3.128 0.000 0.311 341 V C -0.852 175.232 176.094 -0.017 0.000 1.073 341 V CA -0.782 61.511 62.300 -0.013 0.000 0.921 341 V CB 2.112 33.931 31.823 -0.006 0.000 1.009 341 V HN 0.159 nan 8.190 nan 0.000 0.426 342 S N 3.597 119.286 115.700 -0.020 0.000 2.575 342 S HA 0.479 6.826 4.470 3.128 0.000 0.278 342 S C -0.212 174.377 174.600 -0.018 0.000 1.139 342 S CA -0.558 57.630 58.200 -0.019 0.000 0.954 342 S CB 1.113 64.299 63.200 -0.023 0.000 1.054 342 S HN 0.889 nan 8.310 nan 0.000 0.483 343 N N 2.873 121.565 118.700 -0.014 0.000 2.714 343 N HA -0.196 6.421 4.740 3.128 0.000 0.252 343 N C 1.026 176.527 175.510 -0.016 0.000 1.014 343 N CA 1.474 54.516 53.050 -0.014 0.000 0.735 343 N CB -1.736 36.742 38.487 -0.015 0.000 0.924 343 N HN 1.809 nan 8.380 nan 0.000 0.540 344 G N -1.626 107.165 108.800 -0.015 0.000 2.196 344 G HA2 -0.360 5.477 3.960 3.128 0.000 0.268 344 G HA3 -0.360 5.477 3.960 3.128 0.000 0.268 344 G C -0.070 174.812 174.900 -0.029 0.000 0.975 344 G CA 0.914 46.002 45.100 -0.020 0.000 0.648 344 G HN 0.510 nan 8.290 nan 0.000 0.538 345 Q N 0.425 120.208 119.800 -0.029 0.000 2.306 345 Q HA 0.458 6.675 4.340 3.128 0.000 0.265 345 Q C -2.469 173.508 176.000 -0.039 0.000 1.022 345 Q CA -2.159 53.621 55.803 -0.038 0.000 0.853 345 Q CB 2.120 30.836 28.738 -0.036 0.000 1.327 345 Q HN 0.225 nan 8.270 nan 0.000 0.449 346 P HA 0.005 nan 4.420 nan 0.000 0.264 346 P C -0.193 177.085 177.300 -0.036 0.000 1.193 346 P CA 0.298 63.367 63.100 -0.052 0.000 0.763 346 P CB 0.723 32.371 31.700 -0.087 0.000 0.810 347 R N 2.088 122.576 120.500 -0.019 0.000 2.801 347 R HA 0.219 6.436 4.340 3.128 0.000 0.273 347 R C 1.850 178.149 176.300 -0.001 0.000 1.080 347 R CA -0.078 56.015 56.100 -0.011 0.000 1.197 347 R CB -0.070 30.226 30.300 -0.008 0.000 1.109 347 R HN 0.460 nan 8.270 nan 0.000 0.535 348 A N 1.229 124.049 122.820 -0.000 0.000 1.892 348 A HA -0.263 5.934 4.320 3.128 0.000 0.218 348 A C 2.043 179.629 177.584 0.004 0.000 1.188 348 A CA 1.737 53.768 52.037 -0.010 0.000 0.631 348 A CB -0.882 18.110 19.000 -0.015 0.000 0.822 348 A HN 0.882 nan 8.150 nan 0.000 0.447 349 Y N 0.860 121.115 120.300 -0.074 0.000 2.097 349 Y HA -0.224 6.202 4.550 3.128 0.000 0.282 349 Y C 2.729 178.611 175.900 -0.031 0.000 1.152 349 Y CA 2.549 60.605 58.100 -0.074 0.000 1.136 349 Y CB -0.625 37.779 38.460 -0.093 0.000 0.975 349 Y HN 0.302 nan 8.280 nan 0.000 0.498 350 T N 0.896 115.575 114.554 0.209 0.000 2.720 350 T HA -0.228 6.000 4.350 3.128 0.000 0.268 350 T C 1.902 176.556 174.700 -0.076 0.000 1.037 350 T CA 1.661 63.828 62.100 0.111 0.000 1.144 350 T CB -0.351 68.573 68.868 0.094 0.000 0.864 350 T HN 0.347 nan 8.240 nan 0.000 0.444 351 R N 0.469 120.915 120.500 -0.091 0.000 2.083 351 R HA -0.063 6.154 4.340 3.128 0.000 0.237 351 R C 2.301 178.511 176.300 -0.150 0.000 1.137 351 R CA 1.571 57.590 56.100 -0.134 0.000 0.951 351 R CB -0.409 29.831 30.300 -0.100 0.000 0.851 351 R HN 0.390 nan 8.270 nan 0.000 0.434 352 I N -0.203 120.273 120.570 -0.156 0.000 2.353 352 I HA -0.209 5.838 4.170 3.128 0.000 0.248 352 I C 2.080 178.075 176.117 -0.203 0.000 1.119 352 I CA 0.857 62.042 61.300 -0.191 0.000 1.417 352 I CB -0.302 37.561 38.000 -0.228 0.000 1.078 352 I HN 0.148 nan 8.210 nan 0.000 0.421 353 F N 1.745 121.463 119.950 -0.388 0.000 2.046 353 F HA -0.294 6.110 4.527 3.128 0.000 0.297 353 F C 2.606 178.331 175.800 -0.125 0.000 1.123 353 F CA 1.801 59.630 58.000 -0.285 0.000 1.199 353 F CB -0.400 38.447 39.000 -0.255 0.000 0.972 353 F HN 0.018 nan 8.300 nan 0.000 0.474 354 A N 0.529 123.351 122.820 0.004 0.000 1.927 354 A HA -0.320 5.878 4.320 3.128 0.000 0.220 354 A C 2.035 179.527 177.584 -0.153 0.000 1.185 354 A CA 2.270 54.143 52.037 -0.273 0.000 0.639 354 A CB -1.260 17.273 19.000 -0.780 0.000 0.820 354 A HN 0.713 nan 8.150 nan 0.000 0.451 355 E N -1.426 118.678 120.200 -0.159 0.000 2.274 355 E HA -0.081 6.146 4.350 3.128 0.000 0.194 355 E C 1.505 178.030 176.600 -0.124 0.000 0.996 355 E CA 1.417 57.741 56.400 -0.126 0.000 0.840 355 E CB -0.439 29.189 29.700 -0.120 0.000 0.772 355 E HN 0.507 nan 8.360 nan 0.000 0.491 356 T N 0.698 115.149 114.554 -0.172 0.000 3.021 356 T HA 0.078 6.305 4.350 3.128 0.000 0.245 356 T C 0.807 175.390 174.700 -0.195 0.000 1.028 356 T CA 0.110 62.093 62.100 -0.195 0.000 1.139 356 T CB 0.286 68.995 68.868 -0.266 0.000 0.884 356 T HN 0.049 nan 8.240 nan 0.000 0.457 357 V N 3.581 123.341 119.914 -0.257 0.000 2.585 357 V HA 0.092 6.089 4.120 3.128 0.000 0.296 357 V C -0.353 175.714 176.094 -0.045 0.000 1.035 357 V CA -0.488 61.681 62.300 -0.217 0.000 1.084 357 V CB 0.212 31.829 31.823 -0.343 0.000 0.953 357 V HN 0.331 nan 8.190 nan 0.000 0.483 358 D N 8.418 128.811 120.400 -0.012 0.000 2.506 358 D HA 0.067 6.584 4.640 3.128 0.000 0.234 358 D C -1.529 174.812 176.300 0.068 0.000 1.143 358 D CA -1.005 53.015 54.000 0.033 0.000 0.871 358 D CB 1.034 41.867 40.800 0.056 0.000 1.190 358 D HN 0.440 nan 8.370 nan 0.000 0.459 359 P HA -0.084 nan 4.420 nan 0.000 0.226 359 P C 0.962 178.322 177.300 0.100 0.000 1.153 359 P CA 0.815 63.967 63.100 0.087 0.000 0.777 359 P CB 0.165 31.907 31.700 0.069 0.000 0.794 360 S N -1.374 114.386 115.700 0.100 0.000 2.496 360 S HA 0.043 6.391 4.470 3.128 0.000 0.224 360 S C 0.887 175.566 174.600 0.133 0.000 0.996 360 S CA 0.050 58.318 58.200 0.114 0.000 0.927 360 S CB -0.973 62.293 63.200 0.111 0.000 0.774 360 S HN 0.039 nan 8.310 nan 0.000 0.524 361 I N 2.823 123.474 120.570 0.135 0.000 2.496 361 I HA 0.129 6.176 4.170 3.128 0.000 0.285 361 I C 0.303 176.495 176.117 0.125 0.000 1.080 361 I CA -0.057 61.332 61.300 0.148 0.000 1.404 361 I CB 0.594 38.689 38.000 0.158 0.000 1.403 361 I HN 0.153 nan 8.210 nan 0.000 0.539 362 E N 6.027 126.284 120.200 0.096 0.000 2.194 362 E HA 0.281 6.508 4.350 3.128 0.000 0.284 362 E C -0.904 175.702 176.600 0.011 0.000 1.035 362 E CA -0.322 56.090 56.400 0.021 0.000 0.836 362 E CB 1.862 31.503 29.700 -0.098 0.000 1.070 362 E HN 0.250 nan 8.360 nan 0.000 0.401 363 V N 4.955 124.865 119.914 -0.006 0.000 2.459 363 V HA 0.363 6.361 4.120 3.128 0.000 0.295 363 V C 0.255 176.350 176.094 0.001 0.000 1.029 363 V CA -0.614 61.674 62.300 -0.019 0.000 0.874 363 V CB 1.382 33.058 31.823 -0.246 0.000 0.985 363 V HN 0.596 nan 8.190 nan 0.000 0.438 364 M N 4.561 124.209 119.600 0.080 0.000 2.478 364 M HA 0.642 6.999 4.480 3.128 0.000 0.327 364 M C -0.646 175.853 176.300 0.331 0.000 1.187 364 M CA -0.238 55.183 55.300 0.201 0.000 1.022 364 M CB 1.778 34.488 32.600 0.185 0.000 1.629 364 M HN 0.893 nan 8.290 nan 0.000 0.461 365 W N 0.107 121.455 121.300 0.080 0.000 3.042 365 W HA 0.586 7.126 4.660 3.134 0.000 0.342 365 W C -0.131 176.505 176.519 0.195 0.000 1.240 365 W CA -0.632 56.779 57.345 0.111 0.000 1.166 365 W CB 0.916 30.432 29.460 0.093 0.000 1.469 365 W HN 0.707 nan 8.180 nan 0.000 0.579 366 T N -0.113 114.296 114.554 -0.242 0.000 3.086 366 T HA 0.508 6.735 4.350 3.128 0.000 0.250 366 T C 0.797 175.290 174.700 -0.344 0.000 1.074 366 T CA 0.615 62.580 62.100 -0.225 0.000 0.988 366 T CB -0.433 68.416 68.868 -0.031 0.000 0.988 366 T HN 1.973 nan 8.240 nan 0.000 0.530 367 G N 1.902 110.140 108.800 -0.938 0.000 2.500 367 G HA2 -0.077 5.760 3.960 3.128 0.000 0.209 367 G HA3 -0.077 5.760 3.960 3.128 0.000 0.209 367 G C -2.448 172.560 174.900 0.180 0.000 1.283 367 G CA -0.398 44.555 45.100 -0.246 0.000 0.960 367 G HN 0.057 nan 8.290 nan 0.000 0.528 368 P HA 0.156 nan 4.420 nan 0.000 0.221 368 P C 1.063 178.433 177.300 0.117 0.000 1.145 368 P CA 2.426 65.641 63.100 0.192 0.000 0.795 368 P CB -0.033 31.761 31.700 0.157 0.000 0.775 369 G N -2.933 105.921 108.800 0.091 0.000 2.708 369 G HA2 0.330 6.167 3.960 3.128 0.000 0.289 369 G HA3 0.330 6.167 3.960 3.128 0.000 0.289 369 G C 0.536 175.462 174.900 0.043 0.000 1.416 369 G CA -0.480 44.652 45.100 0.053 0.000 0.829 369 G HN -0.234 nan 8.290 nan 0.000 0.480 370 V N -0.584 119.366 119.914 0.059 0.000 2.261 370 V HA -0.019 5.978 4.120 3.128 0.000 0.246 370 V C 0.986 177.113 176.094 0.055 0.000 1.047 370 V CA 1.253 63.614 62.300 0.103 0.000 1.015 370 V CB -0.418 31.465 31.823 0.101 0.000 0.642 370 V HN 0.370 nan 8.190 nan 0.000 0.446 371 V N 0.083 120.039 119.914 0.070 0.000 2.376 371 V HA 0.580 6.577 4.120 3.128 0.000 0.287 371 V C -0.327 175.685 176.094 -0.137 0.000 1.015 371 V CA -0.079 62.117 62.300 -0.172 0.000 0.834 371 V CB 1.297 32.870 31.823 -0.417 0.000 1.001 371 V HN 0.416 nan 8.190 nan 0.000 0.428 372 T N 2.619 117.079 114.554 -0.156 0.000 2.896 372 T HA 0.331 6.558 4.350 3.128 0.000 0.297 372 T C 0.856 175.587 174.700 0.051 0.000 1.108 372 T CA -0.551 61.539 62.100 -0.018 0.000 1.004 372 T CB 1.723 70.631 68.868 0.067 0.000 1.159 372 T HN 0.558 nan 8.240 nan 0.000 0.499 373 N N 1.535 120.284 118.700 0.082 0.000 2.104 373 N HA 0.008 6.625 4.740 3.128 0.000 0.190 373 N C 0.163 175.795 175.510 0.204 0.000 1.024 373 N CA 1.283 54.403 53.050 0.118 0.000 0.853 373 N CB 0.130 38.660 38.487 0.071 0.000 1.008 373 N HN 0.671 nan 8.380 nan 0.000 0.424 374 E N -0.749 119.581 120.200 0.218 0.000 2.390 374 E HA 0.441 6.668 4.350 3.128 0.000 0.277 374 E C -0.866 175.837 176.600 0.171 0.000 0.939 374 E CA -0.498 55.987 56.400 0.142 0.000 0.769 374 E CB 2.506 32.236 29.700 0.050 0.000 1.251 374 E HN -0.072 nan 8.360 nan 0.000 0.450 375 I N 3.112 123.702 120.570 0.033 0.000 2.428 375 I HA 0.286 6.333 4.170 3.128 0.000 0.279 375 I C -2.347 173.819 176.117 0.081 0.000 1.040 375 I CA -2.036 59.310 61.300 0.077 0.000 1.171 375 I CB 0.818 38.823 38.000 0.010 0.000 1.312 375 I HN 0.096 nan 8.210 nan 0.000 0.470 376 P HA 0.110 nan 4.420 nan 0.000 0.276 376 P C 0.759 178.145 177.300 0.143 0.000 1.244 376 P CA -0.567 62.593 63.100 0.100 0.000 0.801 376 P CB 1.710 33.459 31.700 0.082 0.000 1.006 377 L N 2.548 123.856 121.223 0.143 0.000 2.081 377 L HA -0.251 5.966 4.340 3.128 0.000 0.212 377 L C 2.438 179.386 176.870 0.130 0.000 1.080 377 L CA 2.763 57.718 54.840 0.191 0.000 0.754 377 L CB -1.392 40.784 42.059 0.195 0.000 0.893 377 L HN 0.505 nan 8.230 nan 0.000 0.433 378 S N -1.836 113.916 115.700 0.087 0.000 2.400 378 S HA -0.253 6.094 4.470 3.128 0.000 0.232 378 S C 1.797 176.403 174.600 0.010 0.000 1.025 378 S CA 1.385 59.604 58.200 0.030 0.000 0.993 378 S CB -0.783 62.440 63.200 0.039 0.000 0.808 378 S HN 0.651 nan 8.310 nan 0.000 0.478 379 D N 1.930 122.384 120.400 0.090 0.000 2.103 379 D HA 0.110 6.627 4.640 3.128 0.000 0.199 379 D C 2.150 178.511 176.300 0.102 0.000 0.978 379 D CA 1.298 55.385 54.000 0.144 0.000 0.829 379 D CB -0.561 40.407 40.800 0.280 0.000 0.981 379 D HN 0.452 nan 8.370 nan 0.000 0.464 380 A N 0.243 123.176 122.820 0.189 0.000 1.940 380 A HA -0.247 5.950 4.320 3.128 0.000 0.219 380 A C 2.168 179.529 177.584 -0.373 0.000 1.176 380 A CA 1.864 53.944 52.037 0.071 0.000 0.631 380 A CB -0.885 18.346 19.000 0.385 0.000 0.814 380 A HN 0.429 nan 8.150 nan 0.000 0.446 381 Q N -0.830 118.607 119.800 -0.605 0.000 2.061 381 Q HA -0.206 6.011 4.340 3.128 0.000 0.204 381 Q C 2.032 177.731 176.000 -0.501 0.000 0.984 381 Q CA 1.833 57.008 55.803 -1.047 0.000 0.846 381 Q CB -0.276 28.030 28.738 -0.720 0.000 0.902 381 Q HN 0.552 nan 8.270 nan 0.000 0.421 382 L N 0.753 121.804 121.223 -0.287 0.000 1.989 382 L HA -0.216 6.001 4.340 3.128 0.000 0.211 382 L C 2.149 178.896 176.870 -0.205 0.000 1.071 382 L CA 1.684 56.414 54.840 -0.183 0.000 0.749 382 L CB -0.664 41.334 42.059 -0.102 0.000 0.890 382 L HN 0.316 nan 8.230 nan 0.000 0.431 383 I N -0.879 119.514 120.570 -0.295 0.000 2.252 383 I HA -0.224 5.823 4.170 3.128 0.000 0.245 383 I C 2.752 178.722 176.117 -0.244 0.000 1.102 383 I CA 1.625 62.702 61.300 -0.372 0.000 1.385 383 I CB -1.714 35.730 38.000 -0.927 0.000 1.064 383 I HN 0.387 nan 8.210 nan 0.000 0.414 384 S N 0.872 116.398 115.700 -0.289 0.000 2.370 384 S HA -0.136 6.211 4.470 3.128 0.000 0.226 384 S C 2.149 176.733 174.600 -0.027 0.000 1.033 384 S CA 1.691 59.824 58.200 -0.112 0.000 1.011 384 S CB -0.576 62.582 63.200 -0.071 0.000 0.852 384 S HN 0.543 nan 8.310 nan 0.000 0.457 385 G N 1.083 109.829 108.800 -0.091 0.000 2.408 385 G HA2 -0.060 5.777 3.960 3.128 0.000 0.217 385 G HA3 -0.060 5.777 3.960 3.128 0.000 0.217 385 G C 1.403 176.273 174.900 -0.049 0.000 1.150 385 G CA 0.686 45.756 45.100 -0.051 0.000 0.776 385 G HN 0.563 nan 8.290 nan 0.000 0.542 386 I N -0.915 119.611 120.570 -0.073 0.000 2.286 386 I HA -0.158 5.889 4.170 3.128 0.000 0.248 386 I C 1.983 177.985 176.117 -0.192 0.000 1.115 386 I CA 1.080 62.302 61.300 -0.130 0.000 1.392 386 I CB -0.091 37.825 38.000 -0.141 0.000 1.065 386 I HN 0.163 nan 8.210 nan 0.000 0.418 387 Y N -0.182 120.091 120.300 -0.045 0.000 2.457 387 Y HA 0.153 6.583 4.550 3.132 0.000 0.263 387 Y C 0.960 176.867 175.900 0.012 0.000 1.164 387 Y CA -0.044 58.057 58.100 0.001 0.000 1.274 387 Y CB -0.168 38.303 38.460 0.018 0.000 1.097 387 Y HN 0.172 nan 8.280 nan 0.000 0.523 388 N N 1.905 120.669 118.700 0.106 0.000 2.714 388 N HA -0.239 6.378 4.740 3.128 0.000 0.252 388 N C -0.849 174.727 175.510 0.111 0.000 1.014 388 N CA 0.670 53.770 53.050 0.082 0.000 0.735 388 N CB -0.546 37.970 38.487 0.048 0.000 0.924 388 N HN 0.537 nan 8.380 nan 0.000 0.540 389 R N -1.424 119.156 120.500 0.132 0.000 2.709 389 R HA 0.280 6.497 4.340 3.128 0.000 0.270 389 R C -1.505 174.875 176.300 0.134 0.000 1.038 389 R CA -0.899 55.280 56.100 0.131 0.000 0.872 389 R CB 0.251 30.636 30.300 0.142 0.000 1.259 389 R HN -0.039 nan 8.270 nan 0.000 0.473 390 N N 1.378 120.162 118.700 0.140 0.000 2.492 390 N HA 0.129 6.746 4.740 3.128 0.000 0.262 390 N C -0.327 175.278 175.510 0.158 0.000 1.202 390 N CA 0.075 53.223 53.050 0.164 0.000 0.926 390 N CB 0.511 39.096 38.487 0.163 0.000 1.078 390 N HN 0.276 nan 8.380 nan 0.000 0.454 391 M N 1.538 121.247 119.600 0.182 0.000 2.471 391 M HA 0.507 6.864 4.480 3.128 0.000 0.309 391 M C 0.035 176.537 176.300 0.336 0.000 1.186 391 M CA -1.012 54.402 55.300 0.191 0.000 1.008 391 M CB 1.132 33.786 32.600 0.090 0.000 1.551 391 M HN 0.497 nan 8.290 nan 0.000 0.477 392 A N 1.507 124.511 122.820 0.307 0.000 2.325 392 A HA 0.743 6.940 4.320 3.128 0.000 0.333 392 A C -0.704 177.131 177.584 0.418 0.000 1.155 392 A CA -0.654 51.568 52.037 0.308 0.000 0.814 392 A CB 0.935 19.854 19.000 -0.137 0.000 1.206 392 A HN 0.581 nan 8.150 nan 0.000 0.482 393 V N 2.225 122.342 119.914 0.340 0.000 2.472 393 V HA 0.336 6.333 4.120 3.128 0.000 0.290 393 V C -0.696 175.443 176.094 0.074 0.000 1.037 393 V CA -0.500 61.869 62.300 0.114 0.000 0.908 393 V CB 1.577 33.426 31.823 0.043 0.000 0.985 393 V HN 0.868 nan 8.190 nan 0.000 0.454 394 W N 6.830 128.053 121.300 -0.128 0.000 2.299 394 W HA 0.333 6.897 4.660 3.173 0.000 0.319 394 W C -0.962 175.519 176.519 -0.063 0.000 1.008 394 W CA -1.713 55.550 57.345 -0.137 0.000 1.384 394 W CB 1.179 30.519 29.460 -0.200 0.000 1.220 394 W HN 0.743 nan 8.180 nan 0.000 0.402 395 W N 8.621 129.870 121.300 -0.085 0.000 2.291 395 W HA 0.195 6.724 4.660 3.114 0.000 0.312 395 W C -0.120 176.488 176.519 0.147 0.000 1.061 395 W CA -0.512 56.824 57.345 -0.015 0.000 1.296 395 W CB 0.860 30.216 29.460 -0.172 0.000 1.223 395 W HN 0.252 nan 8.180 nan 0.000 0.421 396 N N 6.150 124.731 118.700 -0.197 0.000 3.210 396 N HA -0.032 6.585 4.740 3.128 0.000 0.314 396 N C -1.522 173.850 175.510 -0.231 0.000 1.291 396 N CA 0.530 53.522 53.050 -0.096 0.000 1.202 396 N CB -0.401 38.083 38.487 -0.005 0.000 1.475 396 N HN 0.411 nan 8.380 nan 0.000 0.554 397 Y N 0.212 120.299 120.300 -0.355 0.000 2.436 397 Y HA 0.263 6.689 4.550 3.127 0.000 0.327 397 Y C -2.284 173.689 175.900 0.122 0.000 1.138 397 Y CA -1.515 56.505 58.100 -0.133 0.000 1.042 397 Y CB 2.353 40.683 38.460 -0.216 0.000 1.302 397 Y HN 0.035 nan 8.280 nan 0.000 0.439 398 P HA 0.010 nan 4.420 nan 0.000 0.257 398 P C 0.188 177.312 177.300 -0.295 0.000 1.325 398 P CA 0.337 63.113 63.100 -0.540 0.000 0.850 398 P CB 0.242 31.796 31.700 -0.243 0.000 1.324 399 V N 2.350 122.211 119.914 -0.088 0.000 2.726 399 V HA -0.061 5.936 4.120 3.128 0.000 0.304 399 V C 1.216 177.264 176.094 -0.076 0.000 1.115 399 V CA 1.921 64.208 62.300 -0.021 0.000 1.264 399 V CB 0.082 31.999 31.823 0.157 0.000 0.867 399 V HN 0.394 nan 8.190 nan 0.000 0.498 400 T N 0.756 115.200 114.554 -0.182 0.000 3.200 400 T HA 0.182 6.409 4.350 3.128 0.000 0.284 400 T C 0.819 175.316 174.700 -0.338 0.000 1.009 400 T CA 0.274 62.148 62.100 -0.376 0.000 0.907 400 T CB -0.099 68.629 68.868 -0.234 0.000 1.120 400 T HN 0.840 nan 8.240 nan 0.000 0.534 401 D N 1.856 122.215 120.400 -0.068 0.000 2.263 401 D HA -0.209 6.309 4.640 3.128 0.000 0.208 401 D C 1.480 177.862 176.300 0.136 0.000 0.971 401 D CA 1.094 55.151 54.000 0.096 0.000 0.867 401 D CB -0.788 40.196 40.800 0.308 0.000 0.929 401 D HN 0.770 nan 8.370 nan 0.000 0.492 402 Y N -2.734 117.666 120.300 0.167 0.000 2.482 402 Y HA 0.390 6.815 4.550 3.125 0.000 0.270 402 Y C 0.146 176.173 175.900 0.213 0.000 1.152 402 Y CA -0.974 57.239 58.100 0.188 0.000 1.292 402 Y CB -0.038 38.538 38.460 0.194 0.000 1.070 402 Y HN -0.087 nan 8.280 nan 0.000 0.528 403 F N 1.518 121.201 119.950 -0.446 0.000 2.883 403 F HA 0.388 6.790 4.527 3.125 0.000 0.383 403 F C 0.456 176.070 175.800 -0.310 0.000 1.342 403 F CA -1.498 56.300 58.000 -0.336 0.000 1.150 403 F CB 0.401 39.169 39.000 -0.386 0.000 2.189 403 F HN -0.187 nan 8.300 nan 0.000 0.593 404 K N 0.528 120.768 120.400 -0.268 0.000 2.283 404 K HA -0.007 6.190 4.320 3.128 0.000 0.202 404 K C 2.095 178.549 176.600 -0.243 0.000 1.048 404 K CA 0.989 57.208 56.287 -0.112 0.000 0.948 404 K CB -0.008 32.585 32.500 0.155 0.000 0.742 404 K HN 0.656 nan 8.250 nan 0.000 0.458 405 G N 1.872 110.183 108.800 -0.814 0.000 2.448 405 G HA2 -0.229 5.609 3.960 3.128 0.000 0.219 405 G HA3 -0.229 5.609 3.960 3.128 0.000 0.219 405 G C 0.552 175.095 174.900 -0.594 0.000 1.127 405 G CA 0.395 44.755 45.100 -1.233 0.000 0.766 405 G HN 0.180 nan 8.290 nan 0.000 0.552 406 K N 0.010 120.157 120.400 -0.420 0.000 2.159 406 K HA 0.551 6.748 4.320 3.128 0.000 0.266 406 K C -0.529 176.008 176.600 -0.106 0.000 0.975 406 K CA -0.750 55.425 56.287 -0.185 0.000 0.865 406 K CB 0.934 33.420 32.500 -0.023 0.000 1.087 406 K HN -0.008 nan 8.250 nan 0.000 0.446 407 L N 3.023 124.199 121.223 -0.079 0.000 2.326 407 L HA 0.377 6.594 4.340 3.128 0.000 0.278 407 L C 0.024 176.859 176.870 -0.057 0.000 1.092 407 L CA -0.638 54.173 54.840 -0.048 0.000 0.810 407 L CB 1.530 43.572 42.059 -0.029 0.000 1.153 407 L HN 0.697 nan 8.230 nan 0.000 0.439 408 A N 4.490 127.261 122.820 -0.080 0.000 2.478 408 A HA 0.518 6.715 4.320 3.128 0.000 0.327 408 A C 0.089 177.662 177.584 -0.018 0.000 1.431 408 A CA -0.283 51.665 52.037 -0.148 0.000 1.014 408 A CB 0.052 18.747 19.000 -0.509 0.000 1.143 408 A HN 0.579 nan 8.150 nan 0.000 0.532 409 L N 2.602 123.891 121.223 0.110 0.000 3.066 409 L HA 0.300 6.517 4.340 3.128 0.000 0.265 409 L C 1.172 178.293 176.870 0.420 0.000 1.232 409 L CA 0.147 55.122 54.840 0.226 0.000 1.031 409 L CB 0.033 42.176 42.059 0.140 0.000 1.379 409 L HN 0.690 nan 8.230 nan 0.000 0.563 410 G N -0.208 108.850 108.800 0.430 0.000 2.531 410 G HA2 0.622 6.459 3.960 3.128 0.000 0.313 410 G HA3 0.622 6.459 3.960 3.128 0.000 0.313 410 G C -2.698 172.502 174.900 0.500 0.000 1.238 410 G CA -0.957 44.342 45.100 0.332 0.000 0.994 410 G HN -0.067 nan 8.290 nan 0.000 0.493 411 P HA 0.245 nan 4.420 nan 0.000 0.279 411 P C -0.119 177.371 177.300 0.317 0.000 1.276 411 P CA -0.648 62.736 63.100 0.474 0.000 0.801 411 P CB 0.740 32.764 31.700 0.540 0.000 1.127 412 M N 1.277 121.093 119.600 0.359 0.000 2.260 412 M HA 0.036 6.393 4.480 3.128 0.000 0.348 412 M C 0.559 176.937 176.300 0.129 0.000 1.342 412 M CA 1.194 56.570 55.300 0.127 0.000 1.040 412 M CB -1.457 30.991 32.600 -0.253 0.000 1.810 412 M HN 0.515 nan 8.290 nan 0.000 0.453 413 H N 0.469 119.450 119.070 -0.149 0.000 2.947 413 H HA 0.391 6.823 4.556 3.126 0.000 0.354 413 H C 0.651 175.883 175.328 -0.160 0.000 1.085 413 H CA 0.856 56.765 56.048 -0.233 0.000 1.253 413 H CB 1.471 30.991 29.762 -0.404 0.000 1.757 413 H HN 0.838 nan 8.280 nan 0.000 0.523 414 G N 3.839 112.263 108.800 -0.627 0.000 2.175 414 G HA2 -0.238 5.599 3.960 3.128 0.000 0.244 414 G HA3 -0.238 5.599 3.960 3.128 0.000 0.244 414 G C -0.030 174.704 174.900 -0.275 0.000 0.982 414 G CA 0.220 45.089 45.100 -0.385 0.000 0.641 414 G HN 0.501 nan 8.290 nan 0.000 0.527 415 L N 1.868 122.852 121.223 -0.399 0.000 2.281 415 L HA 0.343 6.560 4.340 3.128 0.000 0.285 415 L C 0.643 177.433 176.870 -0.133 0.000 1.074 415 L CA -0.780 53.800 54.840 -0.435 0.000 0.817 415 L CB 0.894 42.378 42.059 -0.959 0.000 1.168 415 L HN 0.151 nan 8.230 nan 0.000 0.434 416 D N 3.390 123.781 120.400 -0.015 0.000 2.488 416 D HA -0.073 6.444 4.640 3.128 0.000 0.238 416 D C 0.766 177.157 176.300 0.151 0.000 1.138 416 D CA -0.013 54.032 54.000 0.075 0.000 0.873 416 D CB 1.116 41.974 40.800 0.096 0.000 1.183 416 D HN 0.426 nan 8.370 nan 0.000 0.458 417 K N 2.345 122.827 120.400 0.137 0.000 2.283 417 K HA -0.051 6.146 4.320 3.128 0.000 0.202 417 K C 1.411 178.027 176.600 0.027 0.000 1.048 417 K CA 0.532 56.886 56.287 0.110 0.000 0.948 417 K CB 0.011 32.568 32.500 0.096 0.000 0.742 417 K HN 0.498 nan 8.250 nan 0.000 0.458 418 G N 0.441 109.269 108.800 0.046 0.000 3.605 418 G HA2 0.062 5.899 3.960 3.128 0.000 0.277 418 G HA3 0.062 5.899 3.960 3.128 0.000 0.277 418 G C 1.102 176.024 174.900 0.036 0.000 1.093 418 G CA -0.307 44.803 45.100 0.015 0.000 0.821 418 G HN 0.032 nan 8.290 nan 0.000 0.532 419 L N 1.837 123.104 121.223 0.073 0.000 2.081 419 L HA -0.144 6.073 4.340 3.128 0.000 0.212 419 L C 2.651 179.588 176.870 0.113 0.000 1.080 419 L CA 2.155 57.086 54.840 0.152 0.000 0.754 419 L CB -0.528 41.636 42.059 0.175 0.000 0.893 419 L HN 0.624 nan 8.230 nan 0.000 0.433 420 N N -1.689 117.010 118.700 -0.003 0.000 2.503 420 N HA -0.290 6.327 4.740 3.128 0.000 0.189 420 N C 1.773 177.250 175.510 -0.054 0.000 1.048 420 N CA 1.084 54.117 53.050 -0.029 0.000 0.905 420 N CB -0.412 38.016 38.487 -0.100 0.000 0.951 420 N HN 0.571 nan 8.380 nan 0.000 0.446 421 Q N -0.901 118.820 119.800 -0.132 0.000 2.119 421 Q HA -0.131 6.086 4.340 3.128 0.000 0.201 421 Q C 0.493 176.236 176.000 -0.428 0.000 0.972 421 Q CA 1.202 56.785 55.803 -0.365 0.000 0.847 421 Q CB 0.087 28.458 28.738 -0.611 0.000 0.903 421 Q HN 0.651 nan 8.270 nan 0.000 0.433 422 Y N -1.792 118.561 120.300 0.088 0.000 2.453 422 Y HA 0.299 6.726 4.550 3.127 0.000 0.247 422 Y C -0.328 175.658 175.900 0.143 0.000 1.124 422 Y CA -0.346 57.811 58.100 0.095 0.000 1.243 422 Y CB 1.411 39.922 38.460 0.084 0.000 1.213 422 Y HN -0.225 nan 8.280 nan 0.000 0.523 423 V N 1.803 121.888 119.914 0.286 0.000 2.531 423 V HA 0.243 6.240 4.120 3.128 0.000 0.301 423 V C -0.237 176.000 176.094 0.238 0.000 1.034 423 V CA -0.680 61.815 62.300 0.325 0.000 0.865 423 V CB 1.940 34.010 31.823 0.412 0.000 0.995 423 V HN 0.276 nan 8.190 nan 0.000 0.424 424 D N 2.300 122.864 120.400 0.273 0.000 2.469 424 D HA 0.134 6.651 4.640 3.128 0.000 0.215 424 D C -0.249 176.238 176.300 0.312 0.000 1.154 424 D CA 0.005 54.142 54.000 0.229 0.000 0.832 424 D CB 0.687 41.606 40.800 0.199 0.000 1.008 424 D HN 0.364 nan 8.370 nan 0.000 0.506 425 F N 0.845 120.914 119.950 0.198 0.000 2.991 425 F HA 0.415 6.817 4.527 3.124 0.000 0.355 425 F C -2.294 173.659 175.800 0.255 0.000 1.262 425 F CA -1.229 56.890 58.000 0.197 0.000 1.127 425 F CB 1.290 40.392 39.000 0.170 0.000 1.447 425 F HN -0.198 nan 8.300 nan 0.000 0.584 426 F N 5.924 126.028 119.950 0.256 0.000 2.536 426 F HA 0.703 7.106 4.527 3.127 0.000 0.322 426 F C -0.932 174.959 175.800 0.152 0.000 1.144 426 F CA -0.156 57.976 58.000 0.220 0.000 0.924 426 F CB 1.664 40.748 39.000 0.140 0.000 1.181 426 F HN 0.442 nan 8.300 nan 0.000 0.438 427 T N 3.335 117.584 114.554 -0.509 0.000 2.903 427 T HA 0.732 6.959 4.350 3.128 0.000 0.299 427 T C -0.963 173.422 174.700 -0.525 0.000 1.093 427 T CA -0.732 61.148 62.100 -0.366 0.000 1.002 427 T CB 1.310 70.079 68.868 -0.166 0.000 1.127 427 T HN 0.837 nan 8.240 nan 0.000 0.488 428 V N -0.169 119.594 119.914 -0.252 0.000 2.667 428 V HA 0.774 6.771 4.120 3.128 0.000 0.308 428 V C -0.519 175.495 176.094 -0.134 0.000 1.048 428 V CA -1.024 61.233 62.300 -0.072 0.000 0.928 428 V CB 1.622 33.567 31.823 0.205 0.000 1.004 428 V HN 0.945 nan 8.190 nan 0.000 0.444 429 N N 5.234 123.871 118.700 -0.105 0.000 2.439 429 N HA 0.581 7.198 4.740 3.128 0.000 0.249 429 N C -2.401 173.158 175.510 0.082 0.000 1.003 429 N CA -1.912 51.090 53.050 -0.080 0.000 0.942 429 N CB 1.566 40.074 38.487 0.035 0.000 1.115 429 N HN 0.667 nan 8.380 nan 0.000 0.505 430 P HA 0.286 nan 4.420 nan 0.000 0.306 430 P C -0.304 176.992 177.300 -0.006 0.000 1.309 430 P CA -0.467 62.741 63.100 0.181 0.000 0.759 430 P CB 1.249 33.209 31.700 0.432 0.000 1.314 431 M N -0.148 119.438 119.600 -0.022 0.000 2.283 431 M HA 0.161 6.518 4.480 3.128 0.000 0.314 431 M C 1.808 177.765 176.300 -0.572 0.000 1.153 431 M CA -0.170 54.956 55.300 -0.291 0.000 1.084 431 M CB 0.456 33.028 32.600 -0.047 0.000 1.468 431 M HN 0.448 nan 8.290 nan 0.000 0.474 432 E N 0.003 119.594 120.200 -1.016 0.000 2.333 432 E HA -0.149 6.078 4.350 3.128 0.000 0.198 432 E C -0.193 176.323 176.600 -0.139 0.000 1.007 432 E CA 1.056 57.031 56.400 -0.709 0.000 0.845 432 E CB -0.159 29.187 29.700 -0.590 0.000 0.766 432 E HN 0.498 nan 8.360 nan 0.000 0.507 433 H N 0.634 119.743 119.070 0.066 0.000 3.008 433 H HA 0.324 6.757 4.556 3.127 0.000 0.268 433 H C 0.725 176.091 175.328 0.063 0.000 1.323 433 H CA 0.256 56.344 56.048 0.066 0.000 1.401 433 H CB 1.138 30.918 29.762 0.030 0.000 1.556 433 H HN 0.269 nan 8.280 nan 0.000 0.502 434 A N 3.020 125.836 122.820 -0.005 0.000 1.873 434 A HA -0.194 6.003 4.320 3.128 0.000 0.215 434 A C 2.336 179.745 177.584 -0.292 0.000 1.186 434 A CA 1.526 53.301 52.037 -0.437 0.000 0.616 434 A CB -0.011 18.351 19.000 -1.064 0.000 0.823 434 A HN 0.540 nan 8.150 nan 0.000 0.442 435 E N -0.301 119.785 120.200 -0.191 0.000 2.031 435 E HA -0.133 6.094 4.350 3.128 0.000 0.193 435 E C 1.670 178.224 176.600 -0.075 0.000 0.994 435 E CA 1.128 57.423 56.400 -0.174 0.000 0.800 435 E CB -0.334 29.297 29.700 -0.116 0.000 0.752 435 E HN 0.323 nan 8.360 nan 0.000 0.447 436 L N 0.516 121.760 121.223 0.035 0.000 2.291 436 L HA 0.018 6.235 4.340 3.128 0.000 0.214 436 L C 2.211 179.160 176.870 0.133 0.000 1.120 436 L CA 1.261 56.169 54.840 0.113 0.000 0.799 436 L CB -0.789 41.344 42.059 0.124 0.000 0.925 436 L HN 0.048 nan 8.230 nan 0.000 0.446 437 S N -0.642 115.135 115.700 0.129 0.000 2.440 437 S HA -0.197 6.150 4.470 3.128 0.000 0.238 437 S C 1.873 176.605 174.600 0.220 0.000 1.010 437 S CA 0.946 59.263 58.200 0.196 0.000 0.972 437 S CB -0.179 63.193 63.200 0.287 0.000 0.774 437 S HN 0.466 nan 8.310 nan 0.000 0.501 438 K N 0.752 121.201 120.400 0.082 0.000 2.211 438 K HA 0.016 6.213 4.320 3.128 0.000 0.203 438 K C 1.793 178.583 176.600 0.318 0.000 1.050 438 K CA 0.916 57.229 56.287 0.044 0.000 0.945 438 K CB -0.275 31.922 32.500 -0.505 0.000 0.732 438 K HN 0.373 nan 8.250 nan 0.000 0.451 439 I N 0.353 121.084 120.570 0.269 0.000 2.113 439 I HA -0.320 5.727 4.170 3.128 0.000 0.238 439 I C 2.618 178.980 176.117 0.407 0.000 1.070 439 I CA 1.202 62.677 61.300 0.292 0.000 1.332 439 I CB -0.403 37.742 38.000 0.241 0.000 1.044 439 I HN 0.117 nan 8.210 nan 0.000 0.402 440 S N 0.721 116.676 115.700 0.425 0.000 2.368 440 S HA -0.123 6.224 4.470 3.128 0.000 0.225 440 S C 2.051 176.950 174.600 0.499 0.000 1.030 440 S CA 1.263 59.761 58.200 0.496 0.000 0.999 440 S CB -0.345 63.154 63.200 0.498 0.000 0.844 440 S HN 0.283 nan 8.310 nan 0.000 0.459 441 I N 1.010 121.878 120.570 0.496 0.000 2.226 441 I HA -0.187 5.860 4.170 3.128 0.000 0.245 441 I C 2.558 178.967 176.117 0.486 0.000 1.100 441 I CA 1.520 63.125 61.300 0.509 0.000 1.374 441 I CB -0.560 37.812 38.000 0.621 0.000 1.057 441 I HN 0.465 nan 8.210 nan 0.000 0.413 442 H N 1.233 120.585 119.070 0.470 0.000 2.319 442 H HA -0.223 6.207 4.556 3.122 0.000 0.297 442 H C 2.395 177.894 175.328 0.286 0.000 1.097 442 H CA 2.467 58.724 56.048 0.350 0.000 1.285 442 H CB -0.080 29.917 29.762 0.391 0.000 1.368 442 H HN 0.438 nan 8.280 nan 0.000 0.495 443 T N -1.615 113.259 114.554 0.533 0.000 2.867 443 T HA 0.020 6.247 4.350 3.128 0.000 0.268 443 T C 2.244 177.144 174.700 0.334 0.000 1.057 443 T CA 1.325 63.728 62.100 0.504 0.000 1.136 443 T CB -0.598 68.631 68.868 0.601 0.000 0.874 443 T HN 0.377 nan 8.240 nan 0.000 0.466 444 A N 1.689 124.698 122.820 0.315 0.000 1.972 444 A HA 0.365 6.562 4.320 3.128 0.000 0.219 444 A C 2.835 180.535 177.584 0.192 0.000 1.169 444 A CA 1.763 53.971 52.037 0.285 0.000 0.635 444 A CB -1.381 17.887 19.000 0.446 0.000 0.810 444 A HN 0.787 nan 8.150 nan 0.000 0.446 445 A N 0.130 123.030 122.820 0.133 0.000 1.865 445 A HA -0.235 5.962 4.320 3.128 0.000 0.217 445 A C 1.871 179.471 177.584 0.027 0.000 1.191 445 A CA 2.239 54.290 52.037 0.024 0.000 0.623 445 A CB -0.794 18.128 19.000 -0.129 0.000 0.826 445 A HN 0.545 nan 8.150 nan 0.000 0.444 446 D N -2.244 118.186 120.400 0.049 0.000 2.117 446 D HA -0.199 6.318 4.640 3.128 0.000 0.197 446 D C 1.767 178.126 176.300 0.098 0.000 0.987 446 D CA 1.542 55.614 54.000 0.119 0.000 0.829 446 D CB -0.264 40.686 40.800 0.250 0.000 0.961 446 D HN 0.516 nan 8.370 nan 0.000 0.460 447 Y N 0.857 121.028 120.300 -0.215 0.000 2.145 447 Y HA -0.200 6.224 4.550 3.122 0.000 0.286 447 Y C 2.384 178.057 175.900 -0.378 0.000 1.145 447 Y CA 2.322 60.058 58.100 -0.607 0.000 1.148 447 Y CB -0.598 37.184 38.460 -1.132 0.000 0.981 447 Y HN 0.095 nan 8.280 nan 0.000 0.507 448 S N -0.755 114.724 115.700 -0.368 0.000 2.470 448 S HA -0.145 6.202 4.470 3.128 0.000 0.225 448 S C 1.925 176.412 174.600 -0.188 0.000 1.006 448 S CA 0.454 58.416 58.200 -0.396 0.000 0.934 448 S CB -1.033 62.080 63.200 -0.144 0.000 0.778 448 S HN 0.734 nan 8.310 nan 0.000 0.517 449 W N 2.455 123.609 121.300 -0.243 0.000 2.494 449 W HA 0.308 6.842 4.660 3.123 0.000 0.286 449 W C 0.061 176.449 176.519 -0.217 0.000 1.218 449 W CA 0.465 57.690 57.345 -0.200 0.000 1.313 449 W CB -0.046 29.308 29.460 -0.176 0.000 1.105 449 W HN 0.304 nan 8.180 nan 0.000 0.561 450 N N 1.136 119.855 118.700 0.032 0.000 2.750 450 N HA 0.072 6.689 4.740 3.128 0.000 0.253 450 N C 0.542 175.997 175.510 -0.090 0.000 1.408 450 N CA -0.060 52.970 53.050 -0.033 0.000 0.780 450 N CB 0.059 38.606 38.487 0.100 0.000 1.191 450 N HN 0.046 nan 8.380 nan 0.000 0.511 451 M N 0.673 120.133 119.600 -0.232 0.000 2.236 451 M HA -0.045 6.312 4.480 3.128 0.000 0.266 451 M C 0.917 177.151 176.300 -0.109 0.000 1.070 451 M CA 1.539 56.625 55.300 -0.356 0.000 1.137 451 M CB 0.190 32.465 32.600 -0.542 0.000 1.378 451 M HN 0.230 nan 8.290 nan 0.000 0.426 452 D N 0.349 120.705 120.400 -0.074 0.000 2.178 452 D HA -0.101 6.416 4.640 3.128 0.000 0.202 452 D C 1.222 177.543 176.300 0.034 0.000 0.974 452 D CA 1.062 55.053 54.000 -0.015 0.000 0.841 452 D CB 0.047 40.827 40.800 -0.032 0.000 0.953 452 D HN 0.375 nan 8.370 nan 0.000 0.478 453 N N -0.679 118.047 118.700 0.043 0.000 2.280 453 N HA -0.077 6.540 4.740 3.128 0.000 0.192 453 N C -0.422 175.145 175.510 0.095 0.000 1.109 453 N CA -0.170 52.911 53.050 0.052 0.000 0.855 453 N CB 0.257 38.758 38.487 0.025 0.000 0.974 453 N HN 0.260 nan 8.380 nan 0.000 0.482 454 Y N 2.729 123.050 120.300 0.036 0.000 2.677 454 Y HA -0.043 6.386 4.550 3.131 0.000 0.335 454 Y C -0.030 175.930 175.900 0.101 0.000 1.162 454 Y CA 0.034 58.192 58.100 0.096 0.000 1.483 454 Y CB 0.173 38.742 38.460 0.183 0.000 1.209 454 Y HN -0.086 nan 8.280 nan 0.000 0.528 455 D N 6.194 126.297 120.400 -0.495 0.000 2.453 455 D HA 0.001 6.518 4.640 3.128 0.000 0.238 455 D C 0.418 176.271 176.300 -0.746 0.000 1.088 455 D CA -0.541 53.163 54.000 -0.493 0.000 0.854 455 D CB 0.395 41.035 40.800 -0.268 0.000 1.076 455 D HN 0.688 nan 8.370 nan 0.000 0.533 456 Y N 2.813 122.705 120.300 -0.680 0.000 2.207 456 Y HA -0.117 6.309 4.550 3.127 0.000 0.287 456 Y C 1.518 177.385 175.900 -0.055 0.000 1.156 456 Y CA 1.578 59.434 58.100 -0.405 0.000 1.182 456 Y CB -0.481 37.975 38.460 -0.006 0.000 0.979 456 Y HN 0.313 nan 8.280 nan 0.000 0.521 457 D N 0.143 120.199 120.400 -0.573 0.000 2.123 457 D HA -0.120 6.397 4.640 3.128 0.000 0.200 457 D C 1.946 178.266 176.300 0.033 0.000 0.976 457 D CA 1.417 55.307 54.000 -0.183 0.000 0.831 457 D CB -0.034 40.559 40.800 -0.346 0.000 0.974 457 D HN 0.362 nan 8.370 nan 0.000 0.469 458 K N -0.088 120.259 120.400 -0.089 0.000 2.057 458 K HA -0.064 6.133 4.320 3.128 0.000 0.207 458 K C 2.131 178.767 176.600 0.059 0.000 1.049 458 K CA 1.108 57.385 56.287 -0.015 0.000 0.931 458 K CB -0.133 32.331 32.500 -0.059 0.000 0.714 458 K HN 0.126 nan 8.250 nan 0.000 0.440 459 A N 0.526 123.384 122.820 0.064 0.000 1.930 459 A HA -0.181 6.016 4.320 3.128 0.000 0.217 459 A C 1.882 179.648 177.584 0.304 0.000 1.175 459 A CA 1.121 53.282 52.037 0.207 0.000 0.627 459 A CB -0.805 18.364 19.000 0.283 0.000 0.815 459 A HN 0.577 nan 8.150 nan 0.000 0.443 460 W N 1.564 122.951 121.300 0.144 0.000 2.335 460 W HA -0.186 6.348 4.660 3.123 0.000 0.311 460 W C 2.033 178.602 176.519 0.083 0.000 1.213 460 W CA 1.949 59.383 57.345 0.150 0.000 1.274 460 W CB -0.320 29.234 29.460 0.156 0.000 1.148 460 W HN 0.366 nan 8.180 nan 0.000 0.498 461 N N 0.169 118.907 118.700 0.064 0.000 2.069 461 N HA -0.230 6.387 4.740 3.128 0.000 0.191 461 N C 1.901 177.315 175.510 -0.160 0.000 1.031 461 N CA 1.859 54.815 53.050 -0.158 0.000 0.852 461 N CB -0.637 37.851 38.487 0.001 0.000 1.018 461 N HN 0.260 nan 8.380 nan 0.000 0.423 462 R N 0.902 121.378 120.500 -0.041 0.000 2.115 462 R HA -0.016 6.201 4.340 3.128 0.000 0.230 462 R C 2.160 178.382 176.300 -0.130 0.000 1.111 462 R CA 1.112 57.203 56.100 -0.015 0.000 0.976 462 R CB -0.072 30.285 30.300 0.095 0.000 0.870 462 R HN 0.159 nan 8.270 nan 0.000 0.445 463 A N 0.843 123.535 122.820 -0.214 0.000 1.877 463 A HA -0.139 6.058 4.320 3.128 0.000 0.216 463 A C 2.070 179.432 177.584 -0.370 0.000 1.186 463 A CA 1.327 53.003 52.037 -0.602 0.000 0.620 463 A CB -0.405 18.490 19.000 -0.175 0.000 0.822 463 A HN 0.318 nan 8.150 nan 0.000 0.443 464 I N -0.427 119.970 120.570 -0.288 0.000 2.286 464 I HA -0.173 5.874 4.170 3.128 0.000 0.245 464 I C 1.853 177.945 176.117 -0.042 0.000 1.104 464 I CA 1.087 62.286 61.300 -0.168 0.000 1.397 464 I CB -0.494 37.230 38.000 -0.459 0.000 1.072 464 I HN 0.234 nan 8.210 nan 0.000 0.417 465 D N 1.090 121.421 120.400 -0.114 0.000 2.106 465 D HA -0.215 6.302 4.640 3.128 0.000 0.191 465 D C 2.300 178.585 176.300 -0.026 0.000 0.997 465 D CA 1.683 55.650 54.000 -0.054 0.000 0.834 465 D CB -0.243 40.522 40.800 -0.058 0.000 0.956 465 D HN 0.309 nan 8.370 nan 0.000 0.448 466 M N -0.198 119.371 119.600 -0.052 0.000 2.175 466 M HA -0.079 6.278 4.480 3.128 0.000 0.264 466 M C 2.321 178.601 176.300 -0.032 0.000 1.063 466 M CA 0.940 56.228 55.300 -0.021 0.000 1.119 466 M CB -0.118 32.503 32.600 0.034 0.000 1.377 466 M HN -0.021 nan 8.290 nan 0.000 0.415 467 L N -1.951 119.237 121.223 -0.057 0.000 2.209 467 L HA -0.114 6.103 4.340 3.128 0.000 0.207 467 L C 1.595 178.229 176.870 -0.392 0.000 1.094 467 L CA 0.989 55.725 54.840 -0.173 0.000 0.790 467 L CB -0.180 41.797 42.059 -0.137 0.000 0.932 467 L HN 0.236 nan 8.230 nan 0.000 0.447 468 Y N -1.090 119.160 120.300 -0.082 0.000 2.444 468 Y HA 0.319 6.745 4.550 3.126 0.000 0.252 468 Y C 1.781 177.645 175.900 -0.061 0.000 1.091 468 Y CA 0.255 58.312 58.100 -0.072 0.000 1.276 468 Y CB 0.175 38.587 38.460 -0.080 0.000 1.170 468 Y HN 0.159 nan 8.280 nan 0.000 0.517 469 G N 1.040 109.866 108.800 0.043 0.000 2.596 469 G HA2 -0.419 5.418 3.960 3.128 0.000 0.304 469 G HA3 -0.419 5.418 3.960 3.128 0.000 0.304 469 G C 0.803 175.714 174.900 0.019 0.000 1.189 469 G CA 0.815 45.920 45.100 0.009 0.000 0.986 469 G HN 0.267 nan 8.290 nan 0.000 0.548 470 D N 0.655 121.061 120.400 0.008 0.000 2.263 470 D HA 0.007 6.524 4.640 3.128 0.000 0.208 470 D C 2.334 178.644 176.300 0.016 0.000 0.971 470 D CA 0.922 54.925 54.000 0.006 0.000 0.867 470 D CB -0.068 40.730 40.800 -0.004 0.000 0.929 470 D HN 0.342 nan 8.370 nan 0.000 0.492 471 L N 0.075 121.326 121.223 0.045 0.000 2.628 471 L HA 0.233 6.450 4.340 3.128 0.000 0.229 471 L C 2.075 178.963 176.870 0.030 0.000 1.137 471 L CA -0.206 54.662 54.840 0.048 0.000 0.909 471 L CB 0.086 42.196 42.059 0.086 0.000 1.137 471 L HN -0.084 nan 8.230 nan 0.000 0.470 472 A N 0.230 123.070 122.820 0.033 0.000 1.877 472 A HA -0.176 6.021 4.320 3.128 0.000 0.216 472 A C 2.178 179.710 177.584 -0.085 0.000 1.186 472 A CA 1.371 53.393 52.037 -0.025 0.000 0.620 472 A CB -0.133 18.857 19.000 -0.017 0.000 0.822 472 A HN 0.297 nan 8.150 nan 0.000 0.443 473 E N 0.420 120.591 120.200 -0.047 0.000 2.072 473 E HA -0.161 6.066 4.350 3.128 0.000 0.191 473 E C 1.603 178.189 176.600 -0.023 0.000 0.985 473 E CA 1.324 57.702 56.400 -0.037 0.000 0.801 473 E CB -0.477 29.213 29.700 -0.017 0.000 0.750 473 E HN 0.561 nan 8.360 nan 0.000 0.452 474 D N 0.303 120.691 120.400 -0.020 0.000 2.097 474 D HA -0.156 6.361 4.640 3.128 0.000 0.195 474 D C 1.949 178.246 176.300 -0.005 0.000 0.989 474 D CA 0.999 54.995 54.000 -0.007 0.000 0.827 474 D CB -0.247 40.542 40.800 -0.018 0.000 0.966 474 D HN 0.085 nan 8.370 nan 0.000 0.456 475 M N 0.844 120.393 119.600 -0.086 0.000 2.159 475 M HA -0.108 6.249 4.480 3.128 0.000 0.263 475 M C 1.680 177.948 176.300 -0.053 0.000 1.063 475 M CA 1.471 56.687 55.300 -0.139 0.000 1.110 475 M CB 0.014 32.289 32.600 -0.542 0.000 1.374 475 M HN -0.182 nan 8.290 nan 0.000 0.411 476 K N -0.972 119.356 120.400 -0.119 0.000 2.032 476 K HA -0.158 6.039 4.320 3.128 0.000 0.209 476 K C 1.781 178.498 176.600 0.195 0.000 1.048 476 K CA 1.788 58.035 56.287 -0.067 0.000 0.927 476 K CB -0.587 31.831 32.500 -0.136 0.000 0.712 476 K HN 0.240 nan 8.250 nan 0.000 0.441 477 V N 1.084 121.095 119.914 0.162 0.000 2.282 477 V HA -0.274 5.723 4.120 3.128 0.000 0.249 477 V C 1.978 178.266 176.094 0.323 0.000 1.057 477 V CA 1.997 64.430 62.300 0.222 0.000 1.032 477 V CB -0.508 31.415 31.823 0.167 0.000 0.645 477 V HN 0.267 nan 8.190 nan 0.000 0.447 478 F N 1.391 121.413 119.950 0.121 0.000 2.074 478 F HA 0.036 6.437 4.527 3.124 0.000 0.293 478 F C 2.325 178.226 175.800 0.168 0.000 1.116 478 F CA 1.406 59.473 58.000 0.111 0.000 1.212 478 F CB -0.769 38.241 39.000 0.016 0.000 0.998 478 F HN 0.040 nan 8.300 nan 0.000 0.471 479 A N 0.547 123.371 122.820 0.005 0.000 1.948 479 A HA -0.300 5.897 4.320 3.128 0.000 0.220 479 A C 2.019 179.712 177.584 0.183 0.000 1.177 479 A CA 2.016 54.065 52.037 0.019 0.000 0.636 479 A CB -1.378 17.770 19.000 0.245 0.000 0.815 479 A HN 0.587 nan 8.150 nan 0.000 0.449 480 N N -0.407 118.487 118.700 0.323 0.000 2.258 480 N HA -0.184 6.433 4.740 3.128 0.000 0.187 480 N C 1.271 176.668 175.510 -0.189 0.000 1.012 480 N CA 1.493 54.566 53.050 0.038 0.000 0.870 480 N CB -0.450 38.095 38.487 0.096 0.000 0.977 480 N HN 0.666 nan 8.380 nan 0.000 0.434 481 H N -1.909 117.098 119.070 -0.105 0.000 2.524 481 H HA 0.235 6.667 4.556 3.127 0.000 0.280 481 H C 0.116 175.343 175.328 -0.167 0.000 1.018 481 H CA 0.229 56.203 56.048 -0.123 0.000 1.165 481 H CB 0.353 30.057 29.762 -0.096 0.000 1.411 481 H HN 0.043 nan 8.280 nan 0.000 0.569 482 S N 0.203 115.837 115.700 -0.110 0.000 2.598 482 S HA 0.070 6.417 4.470 3.128 0.000 0.209 482 S C 1.094 175.658 174.600 -0.060 0.000 1.029 482 S CA -0.208 57.917 58.200 -0.126 0.000 1.172 482 S CB -0.118 62.914 63.200 -0.281 0.000 1.427 482 S HN 0.507 nan 8.310 nan 0.000 0.418 483 T N -1.454 113.065 114.554 -0.058 0.000 2.978 483 T HA 0.348 6.575 4.350 3.128 0.000 0.248 483 T C 0.660 175.399 174.700 0.065 0.000 1.018 483 T CA -0.166 61.933 62.100 -0.002 0.000 1.026 483 T CB 0.069 68.821 68.868 -0.193 0.000 1.032 483 T HN 0.219 nan 8.240 nan 0.000 0.485 484 R N 1.903 122.397 120.500 -0.010 0.000 2.221 484 R HA 0.489 6.706 4.340 3.128 0.000 0.327 484 R C -0.652 175.668 176.300 0.033 0.000 1.033 484 R CA -0.615 55.481 56.100 -0.007 0.000 0.887 484 R CB 0.074 30.334 30.300 -0.066 0.000 1.057 484 R HN 0.174 nan 8.270 nan 0.000 0.455 485 M N 2.890 122.538 119.600 0.080 0.000 2.238 485 M HA 0.319 6.676 4.480 3.128 0.000 0.350 485 M C -1.008 175.241 176.300 -0.084 0.000 1.138 485 M CA -0.520 54.802 55.300 0.036 0.000 1.040 485 M CB 1.574 34.263 32.600 0.148 0.000 1.639 485 M HN 0.541 nan 8.290 nan 0.000 0.451 486 D N 2.315 122.552 120.400 -0.271 0.000 2.548 486 D HA 0.122 6.639 4.640 3.128 0.000 0.214 486 D C -0.191 175.644 176.300 -0.776 0.000 1.345 486 D CA -0.190 53.581 54.000 -0.383 0.000 0.945 486 D CB 0.955 41.599 40.800 -0.261 0.000 1.499 486 D HN 0.620 nan 8.370 nan 0.000 0.579 487 N N 2.850 121.118 118.700 -0.721 0.000 2.322 487 N HA -0.012 6.605 4.740 3.128 0.000 0.194 487 N C 0.353 175.606 175.510 -0.429 0.000 1.126 487 N CA -0.035 52.534 53.050 -0.802 0.000 0.845 487 N CB 0.206 38.410 38.487 -0.471 0.000 0.976 487 N HN 0.350 nan 8.380 nan 0.000 0.475 488 K N -1.646 118.546 120.400 -0.347 0.000 3.583 488 K HA -0.150 6.047 4.320 3.128 0.000 0.287 488 K C 0.768 177.291 176.600 -0.127 0.000 1.269 488 K CA 1.717 57.891 56.287 -0.187 0.000 0.998 488 K CB -2.306 30.123 32.500 -0.118 0.000 1.284 488 K HN 0.668 nan 8.250 nan 0.000 0.472 489 T N -3.565 110.891 114.554 -0.163 0.000 2.614 489 T HA 0.224 6.451 4.350 3.128 0.000 0.163 489 T C 1.436 176.093 174.700 -0.071 0.000 0.806 489 T CA 0.175 62.239 62.100 -0.060 0.000 1.020 489 T CB -0.302 68.602 68.868 0.059 0.000 2.539 489 T HN 0.251 nan 8.240 nan 0.000 0.380 490 W N 2.731 123.976 121.300 -0.090 0.000 2.737 490 W HA 0.658 7.192 4.660 3.124 0.000 0.262 490 W C 0.172 176.596 176.519 -0.159 0.000 1.282 490 W CA 0.015 57.293 57.345 -0.112 0.000 1.386 490 W CB -0.334 29.060 29.460 -0.110 0.000 1.099 490 W HN 0.552 nan 8.180 nan 0.000 0.621 491 A N 3.207 125.462 122.820 -0.941 0.000 2.287 491 A HA 0.605 6.802 4.320 3.128 0.000 0.317 491 A C -0.282 176.987 177.584 -0.525 0.000 1.220 491 A CA -0.661 50.765 52.037 -1.017 0.000 0.835 491 A CB 0.594 18.348 19.000 -2.077 0.000 1.180 491 A HN 0.220 nan 8.150 nan 0.000 0.500 492 K N 0.784 121.001 120.400 -0.306 0.000 2.561 492 K HA 0.724 6.921 4.320 3.128 0.000 0.254 492 K C -1.366 175.181 176.600 -0.089 0.000 0.942 492 K CA -0.392 55.792 56.287 -0.172 0.000 0.818 492 K CB 1.511 33.924 32.500 -0.146 0.000 1.306 492 K HN 0.607 nan 8.250 nan 0.000 0.435 493 S N 0.569 116.255 115.700 -0.023 0.000 2.595 493 S HA 0.811 7.158 4.470 3.128 0.000 0.270 493 S C -1.295 173.331 174.600 0.043 0.000 1.145 493 S CA 0.473 58.681 58.200 0.014 0.000 0.825 493 S CB 1.460 64.643 63.200 -0.028 0.000 1.107 493 S HN 1.634 nan 8.310 nan 0.000 0.461 494 G N 2.060 110.806 108.800 -0.090 0.000 2.587 494 G HA2 0.029 5.866 3.960 3.128 0.000 0.686 494 G HA3 0.029 5.866 3.960 3.128 0.000 0.686 494 G C -0.921 173.760 174.900 -0.364 0.000 1.236 494 G CA -0.596 44.342 45.100 -0.269 0.000 0.820 494 G HN 0.760 nan 8.290 nan 0.000 0.645 495 R N 0.650 120.731 120.500 -0.698 0.000 2.623 495 R HA 0.149 6.366 4.340 3.128 0.000 0.271 495 R C 0.522 176.552 176.300 -0.450 0.000 1.043 495 R CA -0.236 55.305 56.100 -0.932 0.000 1.083 495 R CB 0.248 30.011 30.300 -0.895 0.000 0.974 495 R HN 0.557 nan 8.270 nan 0.000 0.436 496 E N 2.460 122.443 120.200 -0.361 0.000 2.442 496 E HA -0.066 6.161 4.350 3.128 0.000 0.262 496 E C -0.429 176.034 176.600 -0.229 0.000 1.004 496 E CA 0.347 56.617 56.400 -0.216 0.000 0.928 496 E CB 0.329 29.939 29.700 -0.151 0.000 0.937 496 E HN 0.439 nan 8.360 nan 0.000 0.446 497 D N 0.812 121.108 120.400 -0.173 0.000 2.472 497 D HA 0.081 6.598 4.640 3.128 0.000 0.237 497 D C 0.286 176.442 176.300 -0.241 0.000 1.141 497 D CA 0.418 54.302 54.000 -0.194 0.000 0.875 497 D CB 0.368 41.104 40.800 -0.106 0.000 1.192 497 D HN 0.499 nan 8.370 nan 0.000 0.450 498 A N 3.786 126.389 122.820 -0.360 0.000 2.089 498 A HA -0.159 6.038 4.320 3.128 0.000 0.265 498 A C -1.061 176.386 177.584 -0.228 0.000 1.315 498 A CA 0.015 51.817 52.037 -0.391 0.000 0.768 498 A CB -0.877 17.678 19.000 -0.743 0.000 1.112 498 A HN 0.454 nan 8.150 nan 0.000 0.336 499 P HA -0.144 nan 4.420 nan 0.000 0.216 499 P C 1.058 178.304 177.300 -0.091 0.000 1.150 499 P CA 1.604 64.635 63.100 -0.116 0.000 0.837 499 P CB 0.174 31.814 31.700 -0.101 0.000 0.786 500 E N -0.338 119.803 120.200 -0.099 0.000 2.072 500 E HA -0.117 6.110 4.350 3.128 0.000 0.191 500 E C 2.014 178.556 176.600 -0.097 0.000 0.985 500 E CA 0.618 56.968 56.400 -0.083 0.000 0.801 500 E CB -1.132 28.524 29.700 -0.074 0.000 0.750 500 E HN 0.108 nan 8.360 nan 0.000 0.452 501 L N 0.747 121.900 121.223 -0.116 0.000 2.056 501 L HA -0.091 6.126 4.340 3.128 0.000 0.207 501 L C 2.202 179.012 176.870 -0.100 0.000 1.078 501 L CA 1.546 56.312 54.840 -0.125 0.000 0.749 501 L CB -0.296 41.700 42.059 -0.105 0.000 0.901 501 L HN -0.055 nan 8.230 nan 0.000 0.433 502 R N 0.463 120.922 120.500 -0.068 0.000 2.103 502 R HA -0.140 6.077 4.340 3.128 0.000 0.242 502 R C 2.065 178.354 176.300 -0.017 0.000 1.142 502 R CA 1.924 58.013 56.100 -0.019 0.000 0.960 502 R CB -1.194 29.096 30.300 -0.016 0.000 0.858 502 R HN 0.522 nan 8.270 nan 0.000 0.439 503 A N 0.769 123.564 122.820 -0.041 0.000 1.898 503 A HA -0.114 6.084 4.320 3.128 0.000 0.216 503 A C 2.048 179.596 177.584 -0.060 0.000 1.181 503 A CA 1.603 53.620 52.037 -0.034 0.000 0.620 503 A CB -0.354 18.625 19.000 -0.035 0.000 0.819 503 A HN 0.413 nan 8.150 nan 0.000 0.442 504 K N -0.666 119.673 120.400 -0.101 0.000 2.063 504 K HA -0.151 6.046 4.320 3.128 0.000 0.208 504 K C 2.074 178.560 176.600 -0.191 0.000 1.048 504 K CA 1.804 58.002 56.287 -0.149 0.000 0.928 504 K CB -0.380 32.003 32.500 -0.195 0.000 0.713 504 K HN 0.498 nan 8.250 nan 0.000 0.442 505 M N 1.116 120.605 119.600 -0.184 0.000 2.080 505 M HA -0.194 6.163 4.480 3.128 0.000 0.260 505 M C 1.557 177.729 176.300 -0.213 0.000 1.068 505 M CA 1.509 56.685 55.300 -0.208 0.000 1.109 505 M CB -0.337 32.262 32.600 -0.001 0.000 1.342 505 M HN 0.049 nan 8.290 nan 0.000 0.405 506 D N 0.082 120.476 120.400 -0.009 0.000 2.149 506 D HA -0.184 6.333 4.640 3.128 0.000 0.198 506 D C 1.893 178.216 176.300 0.039 0.000 0.990 506 D CA 1.326 55.388 54.000 0.103 0.000 0.839 506 D CB -0.295 40.566 40.800 0.102 0.000 0.948 506 D HN 0.321 nan 8.370 nan 0.000 0.460 507 E N 0.391 120.564 120.200 -0.045 0.000 2.107 507 E HA -0.096 6.131 4.350 3.128 0.000 0.191 507 E C 1.951 178.500 176.600 -0.086 0.000 0.982 507 E CA 0.237 56.611 56.400 -0.042 0.000 0.809 507 E CB -0.411 29.256 29.700 -0.056 0.000 0.756 507 E HN 0.169 nan 8.360 nan 0.000 0.459 508 L N -0.217 120.871 121.223 -0.225 0.000 1.990 508 L HA -0.152 6.065 4.340 3.128 0.000 0.213 508 L C 2.026 178.741 176.870 -0.258 0.000 1.072 508 L CA 2.181 56.814 54.840 -0.346 0.000 0.755 508 L CB -0.822 40.865 42.059 -0.619 0.000 0.889 508 L HN 0.333 nan 8.230 nan 0.000 0.432 509 W N -0.466 120.812 121.300 -0.037 0.000 2.363 509 W HA -0.170 6.366 4.660 3.128 0.000 0.296 509 W C 2.425 178.997 176.519 0.088 0.000 1.212 509 W CA 0.402 57.728 57.345 -0.032 0.000 1.260 509 W CB -0.633 28.865 29.460 0.063 0.000 1.131 509 W HN 0.231 nan 8.180 nan 0.000 0.530 510 N N 1.027 119.880 118.700 0.255 0.000 2.084 510 N HA -0.143 6.474 4.740 3.128 0.000 0.190 510 N C 1.435 177.035 175.510 0.149 0.000 1.030 510 N CA 1.480 54.640 53.050 0.183 0.000 0.849 510 N CB -0.652 37.903 38.487 0.114 0.000 1.012 510 N HN 0.256 nan 8.380 nan 0.000 0.423 511 K N 0.690 121.149 120.400 0.098 0.000 2.026 511 K HA 0.000 6.198 4.320 3.128 0.000 0.208 511 K C 2.180 178.850 176.600 0.116 0.000 1.048 511 K CA 0.792 57.123 56.287 0.073 0.000 0.929 511 K CB -0.235 32.276 32.500 0.019 0.000 0.713 511 K HN 0.115 nan 8.250 nan 0.000 0.439 512 L N 1.018 122.333 121.223 0.152 0.000 2.093 512 L HA -0.163 6.054 4.340 3.128 0.000 0.208 512 L C 2.523 179.610 176.870 0.362 0.000 1.085 512 L CA 1.351 56.329 54.840 0.231 0.000 0.755 512 L CB -0.512 41.645 42.059 0.164 0.000 0.904 512 L HN 0.262 nan 8.230 nan 0.000 0.435 513 S N -2.243 113.716 115.700 0.431 0.000 2.481 513 S HA -0.059 6.288 4.470 3.128 0.000 0.231 513 S C 1.808 176.506 174.600 0.164 0.000 0.996 513 S CA 0.816 59.203 58.200 0.312 0.000 0.942 513 S CB -0.071 63.300 63.200 0.284 0.000 0.768 513 S HN 0.243 nan 8.310 nan 0.000 0.520 514 S N 1.450 117.239 115.700 0.149 0.000 2.593 514 S HA 0.228 6.575 4.470 3.128 0.000 0.217 514 S C 0.259 174.908 174.600 0.082 0.000 0.966 514 S CA -0.101 58.156 58.200 0.095 0.000 0.914 514 S CB -0.274 62.975 63.200 0.082 0.000 0.776 514 S HN 0.643 nan 8.310 nan 0.000 0.523 515 K N 0.751 121.212 120.400 0.102 0.000 3.209 515 K HA -0.186 6.011 4.320 3.128 0.000 0.289 515 K C -0.510 176.129 176.600 0.065 0.000 1.191 515 K CA 0.736 57.072 56.287 0.083 0.000 0.851 515 K CB -1.576 30.960 32.500 0.060 0.000 1.242 515 K HN 0.489 nan 8.250 nan 0.000 0.480 516 E N 1.164 121.404 120.200 0.066 0.000 2.318 516 E HA 0.102 6.329 4.350 3.128 0.000 0.265 516 E C -0.181 176.443 176.600 0.041 0.000 1.069 516 E CA -0.772 55.656 56.400 0.047 0.000 0.893 516 E CB 0.745 30.469 29.700 0.041 0.000 1.076 516 E HN 0.091 nan 8.360 nan 0.000 0.414 517 D N 0.676 121.094 120.400 0.030 0.000 2.425 517 D HA 0.064 6.581 4.640 3.128 0.000 0.247 517 D C -0.620 175.688 176.300 0.014 0.000 1.147 517 D CA 0.210 54.224 54.000 0.025 0.000 0.879 517 D CB 1.032 41.844 40.800 0.019 0.000 1.179 517 D HN 0.479 nan 8.370 nan 0.000 0.456 518 A N 2.662 125.488 122.820 0.011 0.000 2.609 518 A HA 0.072 6.269 4.320 3.128 0.000 0.286 518 A C 1.596 179.173 177.584 -0.012 0.000 1.138 518 A CA 0.146 52.176 52.037 -0.012 0.000 0.960 518 A CB -0.049 18.933 19.000 -0.031 0.000 1.208 518 A HN 0.525 nan 8.150 nan 0.000 0.541 519 S N 0.057 115.761 115.700 0.008 0.000 2.402 519 S HA -0.040 6.307 4.470 3.128 0.000 0.229 519 S C 1.965 176.574 174.600 0.015 0.000 1.021 519 S CA 1.247 59.460 58.200 0.022 0.000 0.974 519 S CB -0.407 62.810 63.200 0.030 0.000 0.800 519 S HN 0.911 nan 8.310 nan 0.000 0.484 520 A N 1.618 124.437 122.820 -0.002 0.000 1.930 520 A HA 0.156 6.353 4.320 3.128 0.000 0.217 520 A C 2.200 179.765 177.584 -0.031 0.000 1.175 520 A CA 1.362 53.392 52.037 -0.011 0.000 0.627 520 A CB -0.781 18.209 19.000 -0.016 0.000 0.815 520 A HN 0.485 nan 8.150 nan 0.000 0.443 521 L N -0.026 121.167 121.223 -0.051 0.000 2.056 521 L HA -0.031 6.186 4.340 3.128 0.000 0.207 521 L C 2.195 178.995 176.870 -0.117 0.000 1.078 521 L CA 1.473 56.256 54.840 -0.095 0.000 0.749 521 L CB -0.568 41.424 42.059 -0.112 0.000 0.901 521 L HN 0.427 nan 8.230 nan 0.000 0.433 522 I N -0.486 120.039 120.570 -0.075 0.000 2.163 522 I HA -0.309 5.738 4.170 3.128 0.000 0.243 522 I C 2.491 178.626 176.117 0.030 0.000 1.085 522 I CA 1.563 62.825 61.300 -0.064 0.000 1.347 522 I CB -0.191 37.818 38.000 0.015 0.000 1.044 522 I HN 0.327 nan 8.210 nan 0.000 0.408 523 E N 1.183 121.448 120.200 0.108 0.000 2.051 523 E HA -0.295 5.932 4.350 3.128 0.000 0.192 523 E C 2.001 178.638 176.600 0.061 0.000 0.991 523 E CA 1.718 58.216 56.400 0.164 0.000 0.799 523 E CB -0.156 29.589 29.700 0.074 0.000 0.748 523 E HN 0.416 nan 8.360 nan 0.000 0.449 524 E N -0.295 119.883 120.200 -0.037 0.000 2.085 524 E HA -0.203 6.024 4.350 3.128 0.000 0.194 524 E C 2.089 178.560 176.600 -0.215 0.000 0.994 524 E CA 1.398 57.735 56.400 -0.106 0.000 0.801 524 E CB -0.168 29.461 29.700 -0.119 0.000 0.743 524 E HN 0.346 nan 8.360 nan 0.000 0.453 525 L N -0.375 120.656 121.223 -0.320 0.000 2.093 525 L HA -0.154 6.063 4.340 3.128 0.000 0.208 525 L C 2.247 178.680 176.870 -0.729 0.000 1.085 525 L CA 0.943 55.373 54.840 -0.684 0.000 0.755 525 L CB -0.436 41.205 42.059 -0.697 0.000 0.904 525 L HN 0.251 nan 8.230 nan 0.000 0.435 526 Y N 0.174 120.322 120.300 -0.253 0.000 2.193 526 Y HA -0.257 6.170 4.550 3.128 0.000 0.285 526 Y C 2.552 178.393 175.900 -0.099 0.000 1.166 526 Y CA 1.176 59.240 58.100 -0.060 0.000 1.181 526 Y CB -0.574 37.891 38.460 0.007 0.000 0.976 526 Y HN 0.191 nan 8.280 nan 0.000 0.520 527 G N -0.441 108.362 108.800 0.005 0.000 2.402 527 G HA2 -0.202 5.635 3.960 3.128 0.000 0.216 527 G HA3 -0.202 5.635 3.960 3.128 0.000 0.216 527 G C 1.493 176.342 174.900 -0.084 0.000 1.162 527 G CA 0.853 45.935 45.100 -0.030 0.000 0.777 527 G HN 0.239 nan 8.290 nan 0.000 0.539 528 E N 0.546 120.604 120.200 -0.235 0.000 2.077 528 E HA -0.074 6.153 4.350 3.128 0.000 0.193 528 E C 2.236 178.774 176.600 -0.102 0.000 0.989 528 E CA 0.693 56.946 56.400 -0.245 0.000 0.800 528 E CB -0.391 29.022 29.700 -0.478 0.000 0.746 528 E HN 0.467 nan 8.360 nan 0.000 0.452 529 F N 0.833 120.768 119.950 -0.024 0.000 2.163 529 F HA 0.043 6.446 4.527 3.128 0.000 0.297 529 F C 2.441 178.249 175.800 0.014 0.000 1.094 529 F CA 0.577 58.564 58.000 -0.021 0.000 1.290 529 F CB -1.265 37.716 39.000 -0.033 0.000 1.017 529 F HN -0.030 nan 8.300 nan 0.000 0.483 530 A N 0.093 123.032 122.820 0.199 0.000 1.933 530 A HA -0.213 5.984 4.320 3.128 0.000 0.218 530 A C 2.282 179.914 177.584 0.080 0.000 1.175 530 A CA 1.855 53.967 52.037 0.124 0.000 0.628 530 A CB -0.653 18.406 19.000 0.098 0.000 0.814 530 A HN 0.236 nan 8.150 nan 0.000 0.444 531 R N -0.333 120.205 120.500 0.064 0.000 2.075 531 R HA 0.009 6.226 4.340 3.128 0.000 0.232 531 R C 1.978 178.319 176.300 0.068 0.000 1.126 531 R CA 2.105 58.235 56.100 0.050 0.000 0.963 531 R CB -0.699 29.620 30.300 0.032 0.000 0.858 531 R HN 0.538 nan 8.270 nan 0.000 0.435 532 M N 0.036 119.692 119.600 0.093 0.000 2.080 532 M HA -0.169 6.188 4.480 3.128 0.000 0.260 532 M C 2.255 178.592 176.300 0.061 0.000 1.068 532 M CA 2.323 57.676 55.300 0.088 0.000 1.109 532 M CB -0.335 32.310 32.600 0.075 0.000 1.342 532 M HN 0.299 nan 8.290 nan 0.000 0.405 533 E N 0.239 120.475 120.200 0.060 0.000 2.072 533 E HA -0.234 5.993 4.350 3.128 0.000 0.191 533 E C 1.999 178.614 176.600 0.025 0.000 0.985 533 E CA 1.129 57.552 56.400 0.038 0.000 0.801 533 E CB -0.022 29.705 29.700 0.045 0.000 0.750 533 E HN 0.451 nan 8.360 nan 0.000 0.452 534 E N 0.340 120.558 120.200 0.031 0.000 2.072 534 E HA -0.187 6.040 4.350 3.128 0.000 0.191 534 E C 1.946 178.550 176.600 0.007 0.000 0.985 534 E CA 1.020 57.430 56.400 0.016 0.000 0.801 534 E CB -0.127 29.584 29.700 0.019 0.000 0.750 534 E HN 0.312 nan 8.360 nan 0.000 0.452 535 A N 0.929 123.761 122.820 0.020 0.000 1.883 535 A HA -0.207 5.990 4.320 3.128 0.000 0.217 535 A C 2.609 180.183 177.584 -0.017 0.000 1.186 535 A CA 1.592 53.638 52.037 0.014 0.000 0.624 535 A CB -1.070 17.961 19.000 0.051 0.000 0.822 535 A HN 0.514 nan 8.150 nan 0.000 0.444 536 C N -0.375 118.918 119.300 -0.012 0.000 2.429 536 C HA -0.084 6.253 4.460 3.128 0.000 0.277 536 C C 2.695 177.630 174.990 -0.092 0.000 1.262 536 C CA 1.087 60.059 59.018 -0.077 0.000 1.733 536 C CB -1.476 26.245 27.740 -0.032 0.000 2.010 536 C HN 0.630 nan 8.230 nan 0.000 0.483 537 N N 1.227 119.897 118.700 -0.050 0.000 2.142 537 N HA -0.112 6.505 4.740 3.128 0.000 0.186 537 N C 1.527 177.008 175.510 -0.049 0.000 1.023 537 N CA 1.264 54.286 53.050 -0.046 0.000 0.852 537 N CB -0.730 37.742 38.487 -0.025 0.000 0.998 537 N HN 0.537 nan 8.380 nan 0.000 0.424 538 N N 1.053 119.728 118.700 -0.042 0.000 2.223 538 N HA -0.016 6.601 4.740 3.128 0.000 0.185 538 N C 1.761 177.237 175.510 -0.056 0.000 1.016 538 N CA 0.595 53.621 53.050 -0.039 0.000 0.863 538 N CB -0.168 38.303 38.487 -0.026 0.000 0.983 538 N HN 0.200 nan 8.380 nan 0.000 0.429 539 L N 0.169 121.339 121.223 -0.087 0.000 2.056 539 L HA -0.101 6.116 4.340 3.128 0.000 0.207 539 L C 2.203 179.001 176.870 -0.120 0.000 1.078 539 L CA 1.102 55.868 54.840 -0.124 0.000 0.749 539 L CB -0.297 41.624 42.059 -0.229 0.000 0.901 539 L HN 0.156 nan 8.230 nan 0.000 0.433 540 K N -0.057 120.271 120.400 -0.120 0.000 2.147 540 K HA -0.139 6.058 4.320 3.128 0.000 0.205 540 K C 2.035 178.596 176.600 -0.066 0.000 1.049 540 K CA 1.361 57.589 56.287 -0.098 0.000 0.936 540 K CB -0.165 32.284 32.500 -0.084 0.000 0.722 540 K HN 0.304 nan 8.250 nan 0.000 0.446 541 A N 0.728 123.515 122.820 -0.055 0.000 2.081 541 A HA 0.023 6.220 4.320 3.128 0.000 0.214 541 A C 1.404 178.967 177.584 -0.036 0.000 1.158 541 A CA 0.788 52.801 52.037 -0.040 0.000 0.724 541 A CB 0.175 19.155 19.000 -0.033 0.000 0.826 541 A HN 0.171 nan 8.150 nan 0.000 0.463 542 N N -1.163 117.515 118.700 -0.038 0.000 2.168 542 N HA 0.219 6.836 4.740 3.128 0.000 0.216 542 N C -0.217 175.281 175.510 -0.021 0.000 1.259 542 N CA -0.106 52.928 53.050 -0.027 0.000 0.902 542 N CB 0.474 38.948 38.487 -0.021 0.000 1.079 542 N HN 0.297 nan 8.380 nan 0.000 0.507 543 L N 3.791 124.998 121.223 -0.028 0.000 2.453 543 L HA 0.159 6.376 4.340 3.128 0.000 0.272 543 L C -1.721 175.136 176.870 -0.021 0.000 1.182 543 L CA -1.101 53.733 54.840 -0.009 0.000 0.858 543 L CB 0.287 42.332 42.059 -0.025 0.000 1.120 543 L HN -0.123 nan 8.230 nan 0.000 0.474 544 P HA -0.080 nan 4.420 nan 0.000 0.265 544 P C 0.227 177.506 177.300 -0.036 0.000 1.187 544 P CA -0.015 63.062 63.100 -0.038 0.000 0.766 544 P CB 0.725 32.389 31.700 -0.061 0.000 0.820 545 E N 2.934 123.112 120.200 -0.036 0.000 2.147 545 E HA -0.195 6.032 4.350 3.128 0.000 0.199 545 E C 1.590 178.171 176.600 -0.032 0.000 1.005 545 E CA 1.428 57.809 56.400 -0.033 0.000 0.810 545 E CB -0.886 28.797 29.700 -0.029 0.000 0.736 545 E HN 0.198 nan 8.360 nan 0.000 0.460 546 V N -0.255 119.634 119.914 -0.043 0.000 2.407 546 V HA -0.208 5.789 4.120 3.128 0.000 0.248 546 V C 2.020 178.092 176.094 -0.037 0.000 1.055 546 V CA 2.189 64.460 62.300 -0.048 0.000 1.049 546 V CB -0.478 31.299 31.823 -0.076 0.000 0.662 546 V HN 0.470 nan 8.190 nan 0.000 0.455 547 A N -0.686 122.117 122.820 -0.028 0.000 1.878 547 A HA -0.021 6.176 4.320 3.128 0.000 0.213 547 A C 2.044 179.622 177.584 -0.009 0.000 1.192 547 A CA 1.492 53.534 52.037 0.008 0.000 0.619 547 A CB -0.671 18.373 19.000 0.073 0.000 0.837 547 A HN 0.500 nan 8.150 nan 0.000 0.446 548 L N 0.414 121.620 121.223 -0.028 0.000 2.042 548 L HA -0.196 6.021 4.340 3.128 0.000 0.210 548 L C 2.407 179.251 176.870 -0.043 0.000 1.076 548 L CA 2.534 57.343 54.840 -0.052 0.000 0.749 548 L CB -0.491 41.536 42.059 -0.054 0.000 0.893 548 L HN 0.577 nan 8.230 nan 0.000 0.432 549 E N 0.039 120.223 120.200 -0.027 0.000 2.160 549 E HA -0.273 5.954 4.350 3.128 0.000 0.195 549 E C 1.749 178.340 176.600 -0.015 0.000 0.991 549 E CA 1.762 58.154 56.400 -0.014 0.000 0.810 549 E CB -0.047 29.653 29.700 -0.001 0.000 0.742 549 E HN 0.718 nan 8.360 nan 0.000 0.466 550 E N -0.754 119.428 120.200 -0.030 0.000 2.299 550 E HA -0.064 6.163 4.350 3.128 0.000 0.193 550 E C 1.893 178.398 176.600 -0.157 0.000 0.998 550 E CA 0.982 57.321 56.400 -0.102 0.000 0.851 550 E CB 0.098 29.753 29.700 -0.074 0.000 0.795 550 E HN 0.487 nan 8.360 nan 0.000 0.492 551 C N -1.026 118.233 119.300 -0.069 0.000 3.525 551 C HA 0.316 6.653 4.460 3.128 0.000 0.289 551 C C 2.570 177.535 174.990 -0.041 0.000 1.496 551 C CA -0.086 58.919 59.018 -0.021 0.000 1.804 551 C CB -0.536 27.235 27.740 0.053 0.000 2.708 551 C HN 0.251 nan 8.230 nan 0.000 0.642 552 S N 2.597 118.266 115.700 -0.052 0.000 2.370 552 S HA -0.238 6.110 4.470 3.128 0.000 0.226 552 S C 1.966 176.553 174.600 -0.022 0.000 1.033 552 S CA 1.544 59.710 58.200 -0.056 0.000 1.011 552 S CB -0.613 62.561 63.200 -0.042 0.000 0.852 552 S HN 0.768 nan 8.310 nan 0.000 0.457 553 R N 0.871 121.381 120.500 0.017 0.000 2.081 553 R HA -0.007 6.210 4.340 3.128 0.000 0.235 553 R C 2.739 179.073 176.300 0.056 0.000 1.131 553 R CA 1.728 57.856 56.100 0.047 0.000 0.960 553 R CB -0.376 29.983 30.300 0.099 0.000 0.856 553 R HN 0.457 nan 8.270 nan 0.000 0.436 554 Q N 0.122 119.973 119.800 0.085 0.000 2.172 554 Q HA -0.067 6.150 4.340 3.128 0.000 0.200 554 Q C 1.846 177.997 176.000 0.252 0.000 0.964 554 Q CA 0.855 56.752 55.803 0.157 0.000 0.855 554 Q CB -0.067 28.803 28.738 0.221 0.000 0.918 554 Q HN 0.112 nan 8.270 nan 0.000 0.444 555 L N 0.855 122.156 121.223 0.130 0.000 1.994 555 L HA -0.197 6.020 4.340 3.128 0.000 0.208 555 L C 1.492 178.371 176.870 0.014 0.000 1.071 555 L CA 1.898 56.720 54.840 -0.030 0.000 0.745 555 L CB -0.985 40.915 42.059 -0.265 0.000 0.892 555 L HN 0.221 nan 8.230 nan 0.000 0.431 556 D N -0.786 119.614 120.400 0.001 0.000 2.117 556 D HA -0.172 6.345 4.640 3.128 0.000 0.197 556 D C 2.171 178.480 176.300 0.014 0.000 0.987 556 D CA 0.733 54.734 54.000 0.002 0.000 0.829 556 D CB 0.063 40.863 40.800 0.000 0.000 0.961 556 D HN 0.287 nan 8.370 nan 0.000 0.460 557 E N 0.233 120.450 120.200 0.029 0.000 2.070 557 E HA -0.170 6.057 4.350 3.128 0.000 0.197 557 E C 2.169 178.775 176.600 0.010 0.000 1.004 557 E CA 0.511 56.922 56.400 0.018 0.000 0.805 557 E CB -0.326 29.385 29.700 0.019 0.000 0.744 557 E HN 0.210 nan 8.360 nan 0.000 0.451 558 L N 0.792 122.039 121.223 0.039 0.000 2.156 558 L HA -0.055 6.162 4.340 3.128 0.000 0.208 558 L C 2.227 179.084 176.870 -0.021 0.000 1.095 558 L CA 0.990 55.830 54.840 -0.000 0.000 0.770 558 L CB -0.299 41.795 42.059 0.058 0.000 0.914 558 L HN 0.078 nan 8.230 nan 0.000 0.439 559 I N -1.186 119.385 120.570 0.002 0.000 2.163 559 I HA -0.330 5.717 4.170 3.128 0.000 0.243 559 I C 2.201 178.307 176.117 -0.018 0.000 1.085 559 I CA 1.715 63.011 61.300 -0.007 0.000 1.347 559 I CB -0.670 37.327 38.000 -0.005 0.000 1.044 559 I HN 0.229 nan 8.210 nan 0.000 0.408 560 T N 1.292 115.836 114.554 -0.017 0.000 2.684 560 T HA -0.149 6.078 4.350 3.128 0.000 0.267 560 T C 1.935 176.611 174.700 -0.039 0.000 1.036 560 T CA 1.347 63.434 62.100 -0.021 0.000 1.148 560 T CB -0.304 68.556 68.868 -0.014 0.000 0.863 560 T HN 0.237 nan 8.240 nan 0.000 0.436 561 L N 0.587 121.781 121.223 -0.049 0.000 2.056 561 L HA -0.055 6.162 4.340 3.128 0.000 0.207 561 L C 3.063 179.855 176.870 -0.129 0.000 1.078 561 L CA 1.113 55.908 54.840 -0.074 0.000 0.749 561 L CB -0.714 41.304 42.059 -0.068 0.000 0.901 561 L HN 0.236 nan 8.230 nan 0.000 0.433 562 A N -0.203 122.548 122.820 -0.115 0.000 1.883 562 A HA -0.293 5.904 4.320 3.128 0.000 0.217 562 A C 2.211 179.719 177.584 -0.126 0.000 1.186 562 A CA 1.859 53.824 52.037 -0.120 0.000 0.624 562 A CB -0.610 18.382 19.000 -0.012 0.000 0.822 562 A HN 0.482 nan 8.150 nan 0.000 0.444 563 Q N -1.033 118.732 119.800 -0.059 0.000 2.135 563 Q HA -0.128 6.089 4.340 3.128 0.000 0.204 563 Q C 2.143 178.110 176.000 -0.055 0.000 0.981 563 Q CA 1.245 57.030 55.803 -0.031 0.000 0.856 563 Q CB -0.397 28.334 28.738 -0.012 0.000 0.902 563 Q HN 0.712 nan 8.270 nan 0.000 0.425 564 G N 0.661 109.411 108.800 -0.083 0.000 2.408 564 G HA2 -0.203 5.634 3.960 3.128 0.000 0.215 564 G HA3 -0.203 5.634 3.960 3.128 0.000 0.215 564 G C 0.865 175.703 174.900 -0.104 0.000 1.156 564 G CA 0.652 45.709 45.100 -0.072 0.000 0.793 564 G HN 0.210 nan 8.290 nan 0.000 0.535 565 D N 0.654 120.906 120.400 -0.246 0.000 2.097 565 D HA -0.095 6.423 4.640 3.128 0.000 0.195 565 D C 2.298 178.365 176.300 -0.389 0.000 0.989 565 D CA 0.779 54.500 54.000 -0.465 0.000 0.827 565 D CB -0.099 39.776 40.800 -1.542 0.000 0.966 565 D HN 0.163 nan 8.370 nan 0.000 0.456 566 K N 1.378 121.613 120.400 -0.274 0.000 2.009 566 K HA -0.094 6.103 4.320 3.128 0.000 0.210 566 K C 1.953 178.621 176.600 0.114 0.000 1.049 566 K CA 1.420 57.751 56.287 0.074 0.000 0.929 566 K CB -0.395 32.217 32.500 0.186 0.000 0.714 566 K HN 0.038 nan 8.250 nan 0.000 0.440 567 A N 0.659 123.514 122.820 0.058 0.000 1.972 567 A HA -0.116 6.081 4.320 3.128 0.000 0.219 567 A C 2.334 179.950 177.584 0.052 0.000 1.169 567 A CA 2.081 54.155 52.037 0.062 0.000 0.635 567 A CB -0.551 18.460 19.000 0.018 0.000 0.810 567 A HN 0.423 nan 8.150 nan 0.000 0.446 568 S N -0.163 115.554 115.700 0.029 0.000 2.368 568 S HA -0.097 6.250 4.470 3.128 0.000 0.225 568 S C 1.813 176.457 174.600 0.074 0.000 1.030 568 S CA 1.412 59.626 58.200 0.023 0.000 0.999 568 S CB -0.441 62.730 63.200 -0.047 0.000 0.844 568 S HN 0.543 nan 8.310 nan 0.000 0.459 569 L N 1.353 122.634 121.223 0.095 0.000 2.042 569 L HA -0.178 6.039 4.340 3.128 0.000 0.210 569 L C 2.145 179.088 176.870 0.121 0.000 1.076 569 L CA 1.189 56.033 54.840 0.007 0.000 0.749 569 L CB -0.776 41.023 42.059 -0.434 0.000 0.893 569 L HN 0.201 nan 8.230 nan 0.000 0.432 570 D N -0.355 120.166 120.400 0.203 0.000 2.149 570 D HA -0.249 6.268 4.640 3.128 0.000 0.198 570 D C 2.130 178.542 176.300 0.187 0.000 0.990 570 D CA 1.331 55.473 54.000 0.237 0.000 0.839 570 D CB -0.112 40.806 40.800 0.197 0.000 0.948 570 D HN 0.281 nan 8.370 nan 0.000 0.460 571 M N 0.020 119.716 119.600 0.160 0.000 2.086 571 M HA -0.162 6.196 4.480 3.128 0.000 0.261 571 M C 1.711 178.185 176.300 0.290 0.000 1.067 571 M CA 1.210 56.642 55.300 0.219 0.000 1.116 571 M CB 0.112 32.787 32.600 0.125 0.000 1.348 571 M HN -0.087 nan 8.290 nan 0.000 0.407 572 I N -0.127 120.566 120.570 0.205 0.000 2.127 572 I HA -0.241 5.806 4.170 3.128 0.000 0.241 572 I C 2.459 178.668 176.117 0.153 0.000 1.075 572 I CA 1.250 62.655 61.300 0.175 0.000 1.334 572 I CB -1.695 36.376 38.000 0.118 0.000 1.040 572 I HN 0.185 nan 8.210 nan 0.000 0.405 573 V N 1.464 121.472 119.914 0.157 0.000 2.332 573 V HA -0.282 5.715 4.120 3.128 0.000 0.248 573 V C 2.841 179.015 176.094 0.134 0.000 1.055 573 V CA 1.884 64.273 62.300 0.149 0.000 1.038 573 V CB -1.138 30.800 31.823 0.193 0.000 0.651 573 V HN 0.489 nan 8.190 nan 0.000 0.450 574 A N -0.971 121.946 122.820 0.161 0.000 1.933 574 A HA -0.285 5.912 4.320 3.128 0.000 0.218 574 A C 2.167 179.813 177.584 0.102 0.000 1.175 574 A CA 1.907 54.035 52.037 0.151 0.000 0.628 574 A CB -0.441 18.689 19.000 0.215 0.000 0.814 574 A HN 0.641 nan 8.150 nan 0.000 0.444 575 Q N -0.466 119.384 119.800 0.083 0.000 2.079 575 Q HA -0.066 6.151 4.340 3.128 0.000 0.200 575 Q C 2.052 178.065 176.000 0.022 0.000 0.974 575 Q CA 1.308 57.099 55.803 -0.019 0.000 0.840 575 Q CB -0.329 28.381 28.738 -0.047 0.000 0.898 575 Q HN 0.677 nan 8.270 nan 0.000 0.430 576 L N 0.832 122.092 121.223 0.062 0.000 2.079 576 L HA -0.200 6.017 4.340 3.128 0.000 0.210 576 L C 1.459 178.357 176.870 0.047 0.000 1.081 576 L CA 0.802 55.678 54.840 0.060 0.000 0.752 576 L CB -0.326 41.777 42.059 0.073 0.000 0.896 576 L HN 0.258 nan 8.230 nan 0.000 0.433 577 N N -0.054 118.677 118.700 0.052 0.000 2.398 577 N HA -0.040 6.577 4.740 3.128 0.000 0.188 577 N C -0.044 175.486 175.510 0.033 0.000 1.122 577 N CA 0.181 53.257 53.050 0.044 0.000 0.866 577 N CB 0.132 38.651 38.487 0.053 0.000 0.970 577 N HN 0.231 nan 8.380 nan 0.000 0.462 578 E N 0.394 120.606 120.200 0.022 0.000 2.476 578 E HA -0.200 6.027 4.350 3.128 0.000 0.251 578 E C -0.891 175.720 176.600 0.019 0.000 1.130 578 E CA 0.367 56.770 56.400 0.005 0.000 0.736 578 E CB -1.125 28.577 29.700 0.003 0.000 1.298 578 E HN 0.260 nan 8.360 nan 0.000 0.400 579 D N 0.007 120.432 120.400 0.041 0.000 2.467 579 D HA 0.157 6.674 4.640 3.128 0.000 0.220 579 D C 0.707 177.064 176.300 0.096 0.000 1.103 579 D CA -0.113 53.924 54.000 0.062 0.000 0.886 579 D CB 1.130 41.972 40.800 0.070 0.000 1.025 579 D HN -0.064 nan 8.370 nan 0.000 0.514 580 T N 2.641 117.244 114.554 0.081 0.000 2.867 580 T HA -0.085 6.142 4.350 3.128 0.000 0.268 580 T C 1.449 176.249 174.700 0.166 0.000 1.057 580 T CA 0.985 63.158 62.100 0.122 0.000 1.136 580 T CB 0.308 69.219 68.868 0.072 0.000 0.874 580 T HN 0.418 nan 8.240 nan 0.000 0.466 581 E N 1.074 121.340 120.200 0.109 0.000 2.051 581 E HA 0.061 6.288 4.350 3.128 0.000 0.189 581 E C 2.577 179.228 176.600 0.086 0.000 0.979 581 E CA 0.896 57.347 56.400 0.085 0.000 0.803 581 E CB -0.373 29.360 29.700 0.055 0.000 0.761 581 E HN 0.471 nan 8.360 nan 0.000 0.451 582 A N 1.262 124.140 122.820 0.096 0.000 1.978 582 A HA -0.226 5.971 4.320 3.128 0.000 0.220 582 A C 2.096 179.753 177.584 0.122 0.000 1.170 582 A CA 1.518 53.611 52.037 0.094 0.000 0.636 582 A CB -0.809 18.248 19.000 0.096 0.000 0.810 582 A HN 0.363 nan 8.150 nan 0.000 0.448 583 Y N 0.609 120.933 120.300 0.039 0.000 2.163 583 Y HA -0.150 6.278 4.550 3.128 0.000 0.288 583 Y C 2.255 178.174 175.900 0.032 0.000 1.136 583 Y CA 2.043 60.167 58.100 0.041 0.000 1.147 583 Y CB -0.105 38.379 38.460 0.040 0.000 0.987 583 Y HN 0.305 nan 8.280 nan 0.000 0.509 584 E N -0.304 119.837 120.200 -0.098 0.000 2.106 584 E HA -0.180 6.047 4.350 3.128 0.000 0.192 584 E C 2.480 178.988 176.600 -0.152 0.000 0.984 584 E CA 1.255 57.542 56.400 -0.188 0.000 0.806 584 E CB -0.569 29.127 29.700 -0.007 0.000 0.750 584 E HN 0.482 nan 8.360 nan 0.000 0.458 585 S N 0.536 116.194 115.700 -0.069 0.000 2.383 585 S HA -0.051 6.296 4.470 3.128 0.000 0.227 585 S C 2.079 176.645 174.600 -0.056 0.000 1.026 585 S CA 1.202 59.376 58.200 -0.043 0.000 0.981 585 S CB 0.029 63.226 63.200 -0.004 0.000 0.818 585 S HN 0.229 nan 8.310 nan 0.000 0.472 586 A N 1.296 124.078 122.820 -0.064 0.000 1.970 586 A HA 0.098 6.295 4.320 3.128 0.000 0.216 586 A C 2.170 179.690 177.584 -0.106 0.000 1.170 586 A CA 1.369 53.378 52.037 -0.047 0.000 0.645 586 A CB -0.589 18.417 19.000 0.010 0.000 0.816 586 A HN 0.621 nan 8.150 nan 0.000 0.447 587 K N 0.519 120.780 120.400 -0.231 0.000 2.025 587 K HA -0.214 5.983 4.320 3.128 0.000 0.207 587 K C 2.070 178.576 176.600 -0.156 0.000 1.049 587 K CA 1.675 57.801 56.287 -0.269 0.000 0.933 587 K CB -0.225 31.950 32.500 -0.541 0.000 0.714 587 K HN 0.742 nan 8.250 nan 0.000 0.438 588 E N 0.756 120.878 120.200 -0.131 0.000 2.085 588 E HA -0.221 6.006 4.350 3.128 0.000 0.194 588 E C 2.038 178.604 176.600 -0.057 0.000 0.994 588 E CA 1.432 57.785 56.400 -0.080 0.000 0.801 588 E CB -0.518 29.146 29.700 -0.061 0.000 0.743 588 E HN 0.355 nan 8.360 nan 0.000 0.453 589 I N 1.894 122.433 120.570 -0.051 0.000 2.163 589 I HA -0.309 5.739 4.170 3.128 0.000 0.243 589 I C 2.836 178.932 176.117 -0.035 0.000 1.085 589 I CA 1.342 62.622 61.300 -0.033 0.000 1.347 589 I CB -0.535 37.454 38.000 -0.019 0.000 1.044 589 I HN 0.263 nan 8.210 nan 0.000 0.408 590 A N 0.164 122.957 122.820 -0.045 0.000 1.865 590 A HA -0.314 5.883 4.320 3.128 0.000 0.217 590 A C 2.252 179.811 177.584 -0.043 0.000 1.191 590 A CA 2.157 54.168 52.037 -0.044 0.000 0.623 590 A CB -0.757 18.211 19.000 -0.053 0.000 0.826 590 A HN 0.423 nan 8.150 nan 0.000 0.444 591 Q N 0.243 120.013 119.800 -0.050 0.000 2.124 591 Q HA -0.155 6.062 4.340 3.128 0.000 0.202 591 Q C 1.744 177.726 176.000 -0.031 0.000 0.977 591 Q CA 2.128 57.907 55.803 -0.041 0.000 0.850 591 Q CB -0.340 28.370 28.738 -0.047 0.000 0.901 591 Q HN 0.682 nan 8.270 nan 0.000 0.429 592 N N -0.332 118.350 118.700 -0.030 0.000 2.171 592 N HA -0.097 6.520 4.740 3.128 0.000 0.184 592 N C 1.325 176.824 175.510 -0.019 0.000 1.021 592 N CA 0.989 54.026 53.050 -0.022 0.000 0.854 592 N CB -0.071 38.404 38.487 -0.020 0.000 0.994 592 N HN 0.179 nan 8.380 nan 0.000 0.426 593 K N 1.003 121.390 120.400 -0.022 0.000 2.057 593 K HA -0.071 6.126 4.320 3.128 0.000 0.207 593 K C 2.010 178.598 176.600 -0.019 0.000 1.049 593 K CA 0.438 56.712 56.287 -0.021 0.000 0.931 593 K CB -0.704 31.780 32.500 -0.027 0.000 0.714 593 K HN 0.154 nan 8.250 nan 0.000 0.440 594 L N 2.111 123.322 121.223 -0.021 0.000 2.056 594 L HA -0.121 6.097 4.340 3.128 0.000 0.207 594 L C 1.605 178.468 176.870 -0.012 0.000 1.078 594 L CA 1.680 56.511 54.840 -0.016 0.000 0.749 594 L CB -0.603 41.445 42.059 -0.017 0.000 0.901 594 L HN 0.082 nan 8.230 nan 0.000 0.433 595 N N -0.690 118.003 118.700 -0.013 0.000 2.084 595 N HA -0.166 6.451 4.740 3.128 0.000 0.190 595 N C 1.737 177.244 175.510 -0.005 0.000 1.030 595 N CA 1.922 54.967 53.050 -0.009 0.000 0.849 595 N CB -0.858 37.623 38.487 -0.010 0.000 1.012 595 N HN 0.392 nan 8.380 nan 0.000 0.423 596 T N 1.175 115.725 114.554 -0.007 0.000 2.653 596 T HA -0.175 6.052 4.350 3.128 0.000 0.268 596 T C 1.926 176.625 174.700 -0.003 0.000 1.035 596 T CA 1.801 63.899 62.100 -0.003 0.000 1.154 596 T CB -0.453 68.412 68.868 -0.005 0.000 0.862 596 T HN 0.401 nan 8.240 nan 0.000 0.441 597 A N 0.774 123.590 122.820 -0.007 0.000 1.930 597 A HA 0.079 6.276 4.320 3.128 0.000 0.217 597 A C 2.327 179.904 177.584 -0.011 0.000 1.175 597 A CA 1.050 53.081 52.037 -0.010 0.000 0.627 597 A CB -0.716 18.278 19.000 -0.011 0.000 0.815 597 A HN 0.486 nan 8.150 nan 0.000 0.443 598 L N -0.774 120.445 121.223 -0.006 0.000 2.093 598 L HA -0.105 6.112 4.340 3.128 0.000 0.208 598 L C 2.543 179.411 176.870 -0.002 0.000 1.085 598 L CA 1.400 56.238 54.840 -0.003 0.000 0.755 598 L CB -0.299 41.760 42.059 0.001 0.000 0.904 598 L HN 0.286 nan 8.230 nan 0.000 0.435 599 S N -1.071 114.631 115.700 0.003 0.000 2.527 599 S HA 0.034 6.381 4.470 3.128 0.000 0.222 599 S C 0.939 175.552 174.600 0.021 0.000 0.985 599 S CA 0.000 58.207 58.200 0.011 0.000 0.921 599 S CB 0.097 63.304 63.200 0.012 0.000 0.772 599 S HN 0.248 nan 8.310 nan 0.000 0.529 600 S N 0.982 116.691 115.700 0.014 0.000 2.584 600 S HA 0.318 6.665 4.470 3.128 0.000 0.273 600 S C 0.599 175.220 174.600 0.036 0.000 1.311 600 S CA -0.643 57.580 58.200 0.037 0.000 1.034 600 S CB 0.663 63.877 63.200 0.023 0.000 0.939 600 S HN 0.438 nan 8.310 nan 0.000 0.513 601 F N 2.677 122.598 119.950 -0.047 0.000 2.126 601 F HA -0.037 6.365 4.527 3.125 0.000 0.299 601 F C 1.214 176.955 175.800 -0.098 0.000 1.096 601 F CA 1.257 59.214 58.000 -0.072 0.000 1.255 601 F CB -0.339 38.626 39.000 -0.058 0.000 0.997 601 F HN 0.608 nan 8.300 nan 0.000 0.479 602 A N 1.031 123.738 122.820 -0.188 0.000 2.440 602 A HA 0.491 6.688 4.320 3.128 0.000 0.251 602 A C -0.651 176.777 177.584 -0.260 0.000 1.089 602 A CA -0.251 51.620 52.037 -0.276 0.000 0.779 602 A CB 0.325 19.302 19.000 -0.038 0.000 1.022 602 A HN 0.111 nan 8.150 nan 0.000 0.492 603 V N 3.534 123.272 119.914 -0.294 0.000 2.588 603 V HA 0.672 6.669 4.120 3.128 0.000 0.304 603 V C -0.263 175.774 176.094 -0.094 0.000 1.042 603 V CA -0.345 61.842 62.300 -0.189 0.000 0.877 603 V CB 1.483 33.153 31.823 -0.254 0.000 0.996 603 V HN 0.852 nan 8.190 nan 0.000 0.425 604 I N 2.863 123.411 120.570 -0.038 0.000 2.785 604 I HA 0.405 6.452 4.170 3.128 0.000 0.293 604 I C 0.309 176.435 176.117 0.016 0.000 1.446 604 I CA -0.024 61.262 61.300 -0.022 0.000 1.028 604 I CB 2.209 40.183 38.000 -0.042 0.000 1.349 604 I HN 0.746 nan 8.210 nan 0.000 0.438 605 S N 3.179 118.906 115.700 0.045 0.000 3.641 605 S HA -0.170 6.177 4.470 3.128 0.000 0.346 605 S C 1.023 175.672 174.600 0.081 0.000 1.074 605 S CA 1.498 59.762 58.200 0.107 0.000 1.026 605 S CB -0.803 62.515 63.200 0.197 0.000 0.908 605 S HN 0.863 nan 8.310 nan 0.000 0.479 606 E N 1.043 121.276 120.200 0.055 0.000 2.070 606 E HA -0.129 6.098 4.350 3.128 0.000 0.197 606 E C 1.885 178.520 176.600 0.058 0.000 1.004 606 E CA 1.495 57.926 56.400 0.051 0.000 0.805 606 E CB -0.011 29.715 29.700 0.044 0.000 0.744 606 E HN 0.417 nan 8.360 nan 0.000 0.451 607 K N 0.040 120.471 120.400 0.051 0.000 2.444 607 K HA 0.127 6.324 4.320 3.128 0.000 0.193 607 K C 0.986 177.642 176.600 0.094 0.000 1.024 607 K CA 0.240 56.561 56.287 0.057 0.000 1.077 607 K CB 0.795 33.310 32.500 0.026 0.000 0.833 607 K HN 0.067 nan 8.250 nan 0.000 0.517 608 V N -0.659 119.323 119.914 0.114 0.000 4.535 608 V HA 0.157 6.154 4.120 3.128 0.000 0.173 608 V C 1.890 178.105 176.094 0.202 0.000 1.036 608 V CA 0.686 63.077 62.300 0.152 0.000 1.412 608 V CB -0.741 31.151 31.823 0.114 0.000 1.991 608 V HN 0.054 nan 8.190 nan 0.000 0.469 609 A N -0.496 122.440 122.820 0.195 0.000 1.940 609 A HA -0.281 5.916 4.320 3.128 0.000 0.219 609 A C 2.109 179.757 177.584 0.107 0.000 1.176 609 A CA 2.580 54.688 52.037 0.120 0.000 0.631 609 A CB -0.564 18.439 19.000 0.005 0.000 0.814 609 A HN 0.673 nan 8.150 nan 0.000 0.446 610 Q N -1.077 118.781 119.800 0.097 0.000 2.033 610 Q HA -0.090 6.127 4.340 3.128 0.000 0.196 610 Q C 2.353 178.414 176.000 0.101 0.000 0.970 610 Q CA 1.417 57.264 55.803 0.072 0.000 0.828 610 Q CB -0.215 28.553 28.738 0.050 0.000 0.895 610 Q HN 0.559 nan 8.270 nan 0.000 0.440 611 S N -0.141 115.634 115.700 0.125 0.000 2.370 611 S HA -0.190 6.157 4.470 3.128 0.000 0.226 611 S C 1.599 176.315 174.600 0.193 0.000 1.033 611 S CA 1.254 59.533 58.200 0.131 0.000 1.011 611 S CB -0.552 62.728 63.200 0.132 0.000 0.852 611 S HN 0.534 nan 8.310 nan 0.000 0.457 612 F N 2.124 122.150 119.950 0.125 0.000 2.115 612 F HA -0.183 6.221 4.527 3.129 0.000 0.300 612 F C 1.764 177.661 175.800 0.162 0.000 1.092 612 F CA 1.749 59.869 58.000 0.199 0.000 1.245 612 F CB -0.487 38.597 39.000 0.140 0.000 0.995 612 F HN 0.256 nan 8.300 nan 0.000 0.481 613 I N -0.078 120.536 120.570 0.073 0.000 2.179 613 I HA -0.337 5.710 4.170 3.128 0.000 0.242 613 I C 2.368 178.436 176.117 -0.083 0.000 1.088 613 I CA 1.600 62.869 61.300 -0.052 0.000 1.357 613 I CB -0.734 37.261 38.000 -0.009 0.000 1.051 613 I HN 0.245 nan 8.210 nan 0.000 0.409 614 Q N 0.685 120.462 119.800 -0.039 0.000 2.079 614 Q HA -0.228 5.989 4.340 3.128 0.000 0.200 614 Q C 2.100 178.036 176.000 -0.107 0.000 0.974 614 Q CA 1.479 57.250 55.803 -0.053 0.000 0.840 614 Q CB -0.260 28.465 28.738 -0.022 0.000 0.898 614 Q HN 0.539 nan 8.270 nan 0.000 0.430 615 E N 1.052 121.175 120.200 -0.129 0.000 2.058 615 E HA -0.215 6.012 4.350 3.128 0.000 0.194 615 E C 2.019 178.328 176.600 -0.485 0.000 0.997 615 E CA 1.221 57.441 56.400 -0.299 0.000 0.801 615 E CB -0.181 29.396 29.700 -0.205 0.000 0.746 615 E HN 0.395 nan 8.360 nan 0.000 0.450 616 A N 0.751 123.356 122.820 -0.358 0.000 1.930 616 A HA -0.127 6.071 4.320 3.128 0.000 0.217 616 A C 2.148 179.676 177.584 -0.093 0.000 1.175 616 A CA 0.979 52.876 52.037 -0.234 0.000 0.627 616 A CB -0.531 18.359 19.000 -0.183 0.000 0.815 616 A HN 0.141 nan 8.150 nan 0.000 0.443 617 L N -0.329 120.840 121.223 -0.089 0.000 2.201 617 L HA -0.089 6.128 4.340 3.128 0.000 0.212 617 L C 2.167 179.023 176.870 -0.023 0.000 1.105 617 L CA 1.184 56.006 54.840 -0.029 0.000 0.775 617 L CB -0.102 41.932 42.059 -0.041 0.000 0.913 617 L HN 0.263 nan 8.230 nan 0.000 0.440 618 S N -1.260 114.393 115.700 -0.079 0.000 2.575 618 S HA 0.107 6.454 4.470 3.128 0.000 0.215 618 S C 0.327 174.857 174.600 -0.116 0.000 0.966 618 S CA -0.202 57.940 58.200 -0.097 0.000 0.911 618 S CB -0.066 63.055 63.200 -0.132 0.000 0.780 618 S HN 0.139 nan 8.310 nan 0.000 0.514 619 F N 2.481 122.281 119.950 -0.250 0.000 2.379 619 F HA 0.455 6.859 4.527 3.128 0.000 0.332 619 F C -0.228 175.507 175.800 -0.108 0.000 1.096 619 F CA -0.668 57.178 58.000 -0.256 0.000 1.105 619 F CB 0.892 39.640 39.000 -0.421 0.000 1.189 619 F HN -0.120 nan 8.300 nan 0.000 0.515 620 D N 5.595 125.820 120.400 -0.292 0.000 2.402 620 D HA 0.221 6.738 4.640 3.128 0.000 0.252 620 D C 0.110 176.348 176.300 -0.104 0.000 1.294 620 D CA -0.137 53.786 54.000 -0.128 0.000 0.948 620 D CB 1.230 41.928 40.800 -0.169 0.000 1.202 620 D HN 0.582 nan 8.370 nan 0.000 0.561 621 L N 1.931 123.198 121.223 0.074 0.000 2.307 621 L HA -0.010 6.207 4.340 3.128 0.000 0.211 621 L C 2.535 179.412 176.870 0.011 0.000 1.099 621 L CA 1.002 55.909 54.840 0.111 0.000 0.816 621 L CB -0.029 42.147 42.059 0.195 0.000 0.952 621 L HN 0.476 nan 8.230 nan 0.000 0.455 622 T N -1.444 113.082 114.554 -0.046 0.000 2.897 622 T HA -0.187 6.040 4.350 3.128 0.000 0.271 622 T C 1.130 175.798 174.700 -0.054 0.000 1.084 622 T CA 0.627 62.684 62.100 -0.070 0.000 1.123 622 T CB -0.611 68.181 68.868 -0.126 0.000 0.865 622 T HN 0.185 nan 8.240 nan 0.000 0.496 623 L N 2.306 123.494 121.223 -0.058 0.000 2.450 623 L HA 0.351 6.568 4.340 3.128 0.000 0.256 623 L C 0.321 177.169 176.870 -0.036 0.000 1.374 623 L CA -0.032 54.775 54.840 -0.055 0.000 1.210 623 L CB -0.840 41.172 42.059 -0.077 0.000 1.394 623 L HN 0.450 nan 8.230 nan 0.000 0.438 624 I N 0.000 120.554 120.570 -0.026 0.000 2.984 624 I HA 0.000 6.047 4.170 3.128 0.000 0.288 624 I CA 0.000 61.291 61.300 -0.016 0.000 1.566 624 I CB 0.000 37.997 38.000 -0.004 0.000 1.214 624 I HN 0.000 nan 8.210 nan 0.000 0.494